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PMIDArticle TitleOrganizationDepostion
19746963 Design, synthesis, protein-ligand X-ray structure, and biological evaluation of a series of novel macrocyclic human immunodeficiency virus-1 protease inhibitors to combat drug resistance. Purdue University 12/19/09
19848404 Discovery of potent and selective inhibitors of the mammalian target of rapamycin (mTOR) kinase. Wyeth Research 12/19/09
18835174 Preparation of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetamide derivatives as novel arginine vasopressin V(2) receptor agonists. Astellas Pharma Inc. 12/19/09
19321349 Synthesis and structure-activity relationships of amide derivatives of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetic acid as selective arginine vasopressin V2 receptor agonists. Astellas Pharma Inc. 12/19/09
19695884 Antagonists of the human A(2A) receptor. Part 6: Further optimization of pyrimidine-4-carboxamides. Vernalis (R&D) Ltd 12/17/09
19201197 Carbonic anhydrase inhibitors. The nematode alpha-carbonic anhydrase of Caenorhabditis elegans CAH-4b is highly inhibited by 2-(hydrazinocarbonyl)-3-substituted-phenyl-1H-indole-5-sulfonamides. Istanbul University 12/17/09
19700331 Discovery of a series of acrylic acids and their derivatives as chemical leads for selective EP3 receptor antagonists. Ono Pharmaceutical Co., Ltd 12/17/09
19645433 Novel flufenamic acid analogues as inhibitors of androgen receptor mediated transcription. St. Jude Research Hospital 12/17/09
19736928 Rapid generation of a high quality lead for transforming growth factor-beta (TGF-beta) type I receptor (ALK5). AstraZeneca 12/17/09
19700330 Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity. Virginia Commonwealth University 12/17/09
19884015 Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: exploration of 5-6 fused rings as alternative S1 moieties. Daiichi Sankyo Co, Ltd 12/16/09
10482466 7-Chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoyl-amino)benzoyl ]-2,3,4,5-tetrahydro-1H-1-benzazepine (OPC-41061): a potent, orally active nonpeptide arginine vasopressin V2 receptor antagonist. Otsuka Pharmaceutical Co., Ltd 12/15/09
19900813 Optimization of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine-5-ylidene)acetamide derivatives as arginine vasopressin V2 receptor agonists and discussion of their binding modes. Astellas Pharma Inc. 12/15/09
19827834 Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. Vertex 12/15/09
18434170 Synthesis of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives as inhibitors of human liver glycogen phosphorylase a. Astellas Pharma Inc. 12/15/09
19645448 ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines Wyeth Research 12/14/09
19877603 Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors (double dagger). IRBM-MRL Rome 12/14/09
19877692 Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). University of Manchester 12/13/09
18952447 Design, synthesis, and pharmacological evaluation of N-bicyclo-5-chloro-1H-indole-2-carboxamide derivatives as potent glycogen phosphorylase inhibitors. Astellas Pharma Inc. 12/10/09
19539481 Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inhibitors of human mitochondrial isoforms VA and VB. Istanbul University 12/09/09
19900814 Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties. Daiichi Sankyo Co, Ltd 12/08/09
17433696 Scaffold hopping, synthesis and structure-activity relationships of 5,6-diaryl-pyrazine-2-amide derivatives: a novel series of CB1 receptor antagonists. AstraZeneca 12/08/09
19443226 Glycogen phosphorylase inhibitory effects of 2-oxo-1,2-dihydropyridin-3-yl amide derivatives. Griffith University 12/07/09
19896847 Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577. Bristol-Myers Squibb Company 12/06/09
19764794 Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline. Amgen 12/06/09
19162487 Biarylether amide quinolines as liver X receptor agonists. Wyeth Research 11/29/09
19811924 Development of a highly water-soluble peptide-based human neutrophil elastase inhibitor; AE-3763 for treatment of acute organ injury. Dainippon Sumitomo Pharma Co 11/26/09
19097791 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: design and synthesis of a potent and isoform selective PKC-zeta inhibitor. Pfizer 11/25/09
19836248 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3. Wyeth Research 11/25/09
19884013 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Wyeth Research 11/25/09
19836247 Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles. Wyeth Research 11/25/09
19853462 4-(3-aryloxyaryl)quinoline alcohols are liver X receptor agonists. Wyeth Research 11/24/09
19880322 N-acylpolyamine inhibitors of HDM2 and HDMX binding to p53. NIH 11/24/09
19842661 Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases. Abbott Laboratories 11/23/09
17638903 Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity. University Hospital Basel 11/23/09
19117760 Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation. Northern Kentucky University 11/11/09
19450983 Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Universite degli Studi di Firenze 11/10/09
19699645 Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase. Northern Kentucky University 11/10/09
19781947 Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Universite de Lyon 11/10/09
17184135 HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. Rutgers University 11/10/09
19758807 Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts. Universitat de Barcelona 11/10/09
19758809 Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase. Shanghai Institutes for Biological Sciences 11/09/09
18394907 Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies. Pfizer 11/09/09
17616632 Identification of a Bis-guanylhydrazone [4,4'-Diacetyldiphenylurea-bis(guanylhydrazone); NSC 109555] as a novel chemotype for inhibition of Chk2 kinase. NIH 11/09/09
19748274 Tetraiodobenzimidazoles are potent inhibitors of protein kinase CK2. University of Padova 11/09/09
19773165 Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements. Johnson & Johnson Pharmaceutical 11/08/09
19729306 Structure-based design of novel human Pin1 inhibitors (I). Pfizer 11/08/09
19827831 Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes. Novartis 11/07/09
19791799 RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. Gilead Sciences Inc. 11/07/09
18831589 Vinylogous ureas as a novel class of inhibitors of reverse transcriptase-associated ribonuclease H activity. National Cancer Institute 11/07/09
19748785 Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Duquesne University 11/06/09
19781950 Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors. University of California at Los Angeles 10/27/09
19572550 Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. University of Zurich 10/27/09
19783444 Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists. Pfizer 10/27/09
19767211 Synthesis and structure-activity relationships of dehydroaltenusin derivatives as selective DNA polymerase alpha inhibitors. Kyoto Prefectural University 10/27/09
19682971 A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. Novartis Institute for Tropical Diseases 10/26/09
19773173 Carbonic anhydrase inhibitors. Diazenylbenzenesulfonamides are potent and selective inhibitors of the tumor-associated isozymes IX and XII over the cytosolic isoforms I and II. Universita degli Studi di Firenze 10/26/09
19610616 Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone. Vernalis (R&D) Ltd 10/26/09
15582469 Identification and characterization of nonsubstrate based inhibitors of the essential dengue and West Nile virus proteases. University of Alabama at Birmingham 10/26/09
19572549 Identification of inhibitors of checkpoint kinase 1 through template screening. The Institute of Cancer Research 10/25/09
19731956 Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors. CNR 10/22/09
19620011 Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy. Universita degli Studi di Milano 10/14/09
19555120 Botryllamides: Natural Product Inhibitors of ABCG2. SAIC-Frederick 10/13/09
19413326 Discovery of antibacterial biotin carboxylase inhibitors by virtual screening and fragment-based approaches. Pfizer 10/13/09
18089721 New inhibitors of ABCG2 identified by high-throughput screening. SAIC-Frederick 10/13/09
19520086 Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. Philipps-University Marburg 10/13/09
18760609 Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors. Philipps-University Marburg 10/12/09
19492850 Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists. Genentech 10/12/09
19628388 Benzo[c][2,7]naphthyridines as inhibitors of PDK-1. Wyeth Research 10/12/09
18511278 Discovery and initial SAR of arylsulfonylpiperazine inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1). Amgen Inc. 10/12/09
18485702 Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1. Bristol-Myers Squibb Company 10/12/09
19433357 Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors. The Scripps Research Institute 10/12/09
19692239 Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors. Boehringer Ingelheim Pharmaceuticals 10/11/09
19515558 Dipeptidyl nitrile inhibitors of Cathepsin L. AstraZeneca 10/09/09
18316192 Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR. Chemical Genomics Centre of the Max Planck Society 09/30/09
19719239 Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. Duquesne University 09/29/09
19309082 Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. Shanghai Institute of Materia Medica 09/29/09
16807364 Inhibition of the enzymatic activity of heme oxygenases by azole-based antifungal drugs. Queen's University 09/29/09
19631219 Structural-thermodynamic relationships of interactions in the N-terminal ATP-binding domain of Hsp90. University College London 09/29/09
19402633 A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. Genentech 09/28/09
19320487 A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy. University of Dundee 09/28/09
19462975 Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc. Chemical Genomics Centre of the Max Planck Society 09/28/09
19256508 Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design. Vernalis (R&D) Ltd. 09/28/09
19663388 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. Universitat de Barcelona 09/28/09
10964567 Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. CNRS 09/28/09
19338303 Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K. Virginia Tech 09/28/09
19555126 Apogossypol derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. Burnham Institute for Medical Research 09/27/09
19473017 Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies. Purdue University 09/27/09
19527033 One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. University of Dundee 09/27/09
19678708 Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase. Almirall Research Center 09/14/09
19630403 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia (dagger) dagger Coordinates of the PDE10A crystal structures have been depo Pfizer 09/14/09
19603809 Identification of N,1,4,4-Tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. Nerviano Medical Sciences Srl 09/14/09
19525117 Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode. GSK 09/14/09
19645480 Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease. Purdue University 09/14/09
19268600 Synthesis and evaluation of imidazole-dioxolane compounds as selective heme oxygenase inhibitors: effect of substituents at the 4-position of the dioxolane ring. Queen's University 09/14/09
19409795 Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores. BioCryst Pharmaceuticals 09/13/09
19200745 Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Takeda Pharmaceutical Company Ltd. 09/13/09
19179081 Non-peptidic substrate-mimetic inhibitors of Akt as potential anti-cancer agents. Yale University 09/13/09
19246009 Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Duke University Medical Center 09/13/09
18589438 Structure of the BH3 domains from the p53-inducible BH3-only proteins Noxa and Puma in complex with Mcl-1. University of Otago 09/13/09
15826183 Terephthalamide derivatives as mimetics of helical peptides: disruption of the Bcl-x(L)/Bak interaction. Yale University 09/13/09
16028929 Terphenyl-Based Bak BH3 alpha-helical proteomimetics as low-molecular-weight antagonists of Bcl-xL. Yale University 09/13/09
15293988 A nonpeptidic sulfonamide inhibits the p53-mdm2 interaction and activates p53-dependent transcription in mdm2-overexpressing cells. Virginia Commonwealth University 08/17/09
11148027 Chalcone derivatives antagonize interactions between the human oncoprotein MDM2 and p53. Max Planck Institute 08/17/09
15715460 Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells. Johnson & Johnson Pharmaceutical 08/17/09
16630722 Enantiomerically pure 1,4-benzodiazepine-2,5-diones as Hdm2 antagonists. Johnson & Johnson Pharmaceutical 08/17/09
16600594 Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Johnson & Johnson Pharmaceutical 08/17/09
19457663 Identification of a disruptor of the MDM2-p53 protein-protein interaction facilitated by high-throughput in silico docking. H. Lee Moffitt Cancer Center 08/17/09
16647257 Novel 1,4-benzodiazepine-2,5-diones as Hdm2 antagonists with improved cellular activity. Johnson & Johnson Pharmaceutical 08/17/09
17961830 Allosteric inhibition of the protein-protein interaction between the leukemia-associated proteins Runx1 and CBFbeta. University of Virginia at Charlottesville 08/16/09
16789731 Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. University of Michigan 08/16/09
19438227 Discovery, SAR, and pharmacokinetics of a novel 3-hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors. Pfizer 08/16/09
15246006 Fluorescence polarization assay and inhibitor design for MDM2/p53 interaction. Schering-Plough Research Institute 08/16/09
17034127 Small-molecule inhibitors of the MDM2-p53 protein-protein interaction based on an isoindolinone scaffold. University of Newcastle upon Tyne 08/16/09
19492852 Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase. Friedrich Alexander University Erlangen 08/16/09
16759082 Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. University of Michigan 08/16/09
18662878 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Anadys Pharmaceuticals 08/06/09
19422229 Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. Novartis 08/06/09
18722768 Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Anadys Pharmaceuticals 08/06/09
18487044 Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Anadys Pharmaceuticals 08/06/09
18554907 Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Anadys Pharmaceuticals 08/06/09
19054673 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Anadys Pharmaceuticals 08/05/09
18621523 Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. GSK 08/05/09
19328688 Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Roche R&D Center(China) Ltd 08/05/09
18242088 Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Anadys Pharmaceuticals 08/05/09
18945615 Pyrrolo-pyrimidones: a novel class of MK2 inhibitors with potent cellular activity. Novartis 08/04/09
18391212 Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation. Merck Research Laboratories 07/26/09
19195886 Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Novartis 07/07/09
18291646 Synthesis and SAR studies of indole-based MK2 inhibitors. Boehringer Ingelheim Pharmaceuticals Inc. 07/06/09
19256502 Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. Human BioMolecular Research Institute 07/05/09
19457661 Identification of 2-aminobenzimidazoles as potent melanin-concentrating hormone 1-receptor (MCH1R) antagonists. Banyu Pharmaceutical Co. 07/05/09
19323560 Pyridoimidazolones as novel potent inhibitors of v-Raf murine sarcoma viral oncogene homologue B1 (BRAF). The Institute of Cancer Research 07/05/09
17480064 Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). Pfizer 07/05/09
19477642 Second generation of BACE-1 inhibitors part 2: Optimisation of the non-prime side substituent. GSK 07/05/09
19406640 Second generation of BACE-1 inhibitors part 3: Towards non hydroxyethylamine transition state mimetics. GSK 07/05/09
19428244 Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics. GSK 07/05/09
19464885 Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE. Wyeth Research 07/05/09
19326941 Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. Washington University 07/05/09
17576063 The discovery of carboline analogs as potent MAPKAP-K2 inhibitors. Boehringer Ingelheim Pharmaceuticals Inc. 07/05/09
19394217 2-Cyclohexylcarbonylbenzimidazoles as potent, orally available and brain-penetrable opioid receptor-like 1 (ORL1) antagonists. Banyu Pharmaceutical Co. 07/04/09
19447610 Discovery of novel arylpyrazole series as potent and selective opioid receptor-like 1 (ORL1) antagonists. Banyu Pharmaceutical Co. 07/04/09
19464886 Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors. National Human Genome Research Institute 07/04/09
18243697 Identification of a potent new chemotype for the selective inhibition of PDE4. NIH 07/04/09
19398200 Optimization of benzimidazole series as opioid receptor-like 1 (ORL1) antagonists: SAR study directed toward improvement of selectivity over hERG activity. Banyu Pharmaceutical Co. 07/02/09
19345579 Synthesis and PKCtheta inhibitory activity of a series of 4-indolylamino-5-phenyl-3-pyridinecarbonitriles. Wyeth Research 07/02/09
19457666 Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Vitae Pharmaceuticals 07/01/09
19450980 Discovery and structure-guided drug design of inhibitors of 11beta-hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold. Merck-Serono 07/01/09
19464171 Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Amgen 07/01/09
19473839 N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Pfizer 07/01/09
19464884 Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Wyeth Research 07/01/09
18254726 Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. University of Illinois at Chicago 06/10/09
19338333 Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. Kochi Medical School 06/09/09
19271755 Design, synthesis, and structure-activity relationship of substrate competitive, selective, and in vivo active triazole and thiadiazole inhibitors of the c-Jun N-terminal kinase. Burnham Institute for Medical Research 06/09/09
19374444 Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. CSIC 06/09/09
19361210 8-(4-Methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazines: selective and centrally active corticotropin-releasing factor receptor-1 (CRF1) antagonists. Bristol-Myers Squibb Company 06/08/09
19378991 Chalcones: a valid scaffold for monoamine oxidases inhibitors. Universita degli Studi di Roma La Sapienza 06/08/09
19371038 Compounds binding to the S2-S3 pockets of thrombin. University of Kalmar 06/08/09
19348415 Discovery of 6-aryl-7-alkoxyisoquinoline inhibitors of IkappaB kinase-beta (IKK-beta). GSK 06/08/09
19354253 Indomethacin amides as a novel molecular scaffold for targeting Trypanosoma cruzi sterol 14alpha-demethylase. Vanderbilt University 06/08/09
19351168 N-aryl-oxazolidin-2-imine muscle selective androgen receptor modulators enhance potency through pharmacophore reorientation. Bristol-Myers Squibb Company 06/08/09
19309081 Pyranonaphthoquinone lactones: a new class of AKT selective kinase inhibitors alkylate a regulatory loop cysteine. Wyeth Research 06/08/09
19419203 Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. National Taiwan University 06/08/09
19361209 Synthesis and structure-activity relationships of 8-(pyrid-3-yl)pyrazolo[1,5-a]-1,3,5-triazines: potent, orally bioavailable corticotropin releasing factor receptor-1 (CRF1) antagonists. Bristol-Myers Squibb Company 06/08/09
19237285 Benzimidazolone-based serotonin 5-HT1A or 5-HT7R ligands: synthesis and biological evaluation. CNRS 06/07/09
19334715 Design, synthesis, and biological evaluation of new 5-HT4 receptor agonists: application as amyloid cascade modulators and potential therapeutic utility in Alzheimer's disease. CNRS 06/07/09
18582436 ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner. Kyushu University 06/07/09
19317450 Identification and characterization of small molecule inhibitors of a class I histone deacetylase from Plasmodium falciparum. Harvard Medical School 06/07/09
17825569 The influence of modifications in imide fragment structure on 5-HT(1A) and 5-HT(7) receptor affinity and in vivo pharmacological properties of some new 1-(m-trifluoromethylphenyl)piperazines. Polish Academy of Science 06/07/09
19317447 Molecular cloning, characterization, and inhibition studies of the Rv1284 beta-carbonic anhydrase from Mycobacterium tuberculosis with sulfonamides and a sulfamate. Kochi Medical School 06/05/09
19265439 Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. Purdue University 06/04/09
19296678 Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. University of California at Irvine 06/03/09
19374401 Discovery of inducible nitric oxide synthase (iNOS) inhibitor development candidate KD7332, part 1: Identification of a novel, potent, and selective series of quinolinone iNOS dimerization inhibitors that are orally active in rodent pain models. Kalypsys Inc. 06/03/09
19267475 Synthesis, molecular modeling, and selective inhibitory activity against human monoamine oxidases of 3-carboxamido-7-substituted coumarins. Universita degli Studi di Roma La Sapienza 06/03/09
19361197 Conformationally constrained fatty acid ethanolamides as cannabinoid and vanilloid receptor probes. Universita del Piemonte Orientale 06/01/09
19385613 Human glucagon receptor antagonists with thiazole cores. A novel series with superior pharmacokinetic properties. Novo Nordisk A/S 06/01/09
19338356 Synthesis and evaluation of dibenzothiazepines: a novel class of selective cannabinoid-1 receptor inverse agonists. ACADIA Pharmaceuticals AB 06/01/09
19351113 Discovery of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one (PF-514273), a novel, bicyclic lactam-based cannabinoid-1 receptor antagonist for the treatment of obesity. Pfizer 05/25/09
19419202 Novel cambinol analogs as sirtuin inhibitors: synthesis, biological evaluation, and rationalization of activity. University of St Andrews 05/25/09
19351152 Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. University of Leeds 05/25/09
18178084 Carbamate-appended N-alkylsulfonamides as inhibitors of gamma-secretase. Bristol-Myers Squibb Company 05/10/09
18556202 Discovery of a novel series of Notch-sparing gamma-secretase inhibitors. Wyeth Research 05/10/09
16899369 Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. University of Florence 05/10/09
18799592 Novel peroxisome proliferator-activated receptor alpha agonists lower low-density lipoprotein and triglycerides, raise high-density lipoprotein, and synergistically increase cholesterol excretion with a liver X receptor agonist. Bristol-Myers Squibb Company 05/09/09
16275079 4-substituted cyclohexyl sulfones as potent, orally active gamma-secretase inhibitors. Merck Research Laboratories 05/08/09
19329331 Botulinum neurotoxin serotype A inhibitors: small-molecule mercaptoacetamide analogs. Absolute Science, Inc. 05/08/09
19012391 Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. Wyeth Research 05/08/09
18221310 Rhodanine derivatives as selective protease inhibitors against bacterial toxins. Burnham Institute for Medical Research 05/08/09
16931011 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2. GNF 05/07/09
19053776 Crystal structure of the peroxisome proliferator-activated receptor gamma (PPARgamma) ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic pocket could be exploited for drug design. Consiglio Nazionale delle Ricerche 05/07/09
17157019 Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists. LG Life Sciences 05/07/09
19296651 Identification of a metabolically stable triazolopyrimidine-based dihydroorotate dehydrogenase inhibitor with antimalarial activity in mice. University of Washington at Seattle 05/07/09
17403688 Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands. Consiglio Nazionale delle Ricerche 05/07/09
19168353 Discovery and SAR of para-alkylthiophenoxyacetic acids as potent and selective PPARdelta agonists. Johnson & Johnson Pharmaceutical 05/06/09
18722772 Discovery of a novel class of PPARdelta partial agonists. GSK 05/06/09
17243659 Substituted 2-[(4-aminomethyl)phenoxy]-2-methylpropionic acid PPARalpha agonists. 1. Discovery of a novel series of potent HDLc raising agents. GSK 05/06/09
17608467 Synthesis and identification of [1,2,4]thiadiazole derivatives as a new series of potent and orally active dual agonists of peroxisome proliferator-activated receptors alpha and delta. Johnson & Johnson Pharmaceutical 05/06/09
18374567 Synthesis of small molecule inhibitors of the orphan nuclear receptor steroidogenic factor-1 (NR5A1) based on isoquinolinone scaffolds. Scripps Florida 05/06/09
19345582 1-Sulfonylindazoles as potent and selective 5-HT6 ligands. Wyeth Research 05/05/09
19346128 Synthesis and SAR of tolylamine 5-HT6 antagonists. Pfizer 05/05/09
19159286 Discovery of XL335 (WAY-362450), a Highly Potent, Selective, and Orally Active Agonist of the Farnesoid X Receptor (FXR). Exelixis Inc. 05/02/09
19267461 Novel tricyclic inhibitors of IkappaB kinase. Bristol-Myers Squibb Company 05/02/09
19217284 1,3,4-Oxadiazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 2: SAR of the C5 position. GSK 04/21/09
19237286 Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding. GSK 04/21/09
19226143 Exploiting the pyrazolo[3,4-d]pyrimidin-4-one ring system as a useful template to obtain potent adenosine deaminase inhibitors. Universita di Pisa 04/21/09
19209891 New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C(8) Substitution in Structural Analogues of S-Adenosylmethionine (dagger). Cornell University 04/21/09
19243944 Novel N-substituted 2-phenyl-1-sulfonylamino-cyclopropane carboxylates as selective ADAMTS-5 (Aggrecanase-2) inhibitors. Japan Tobacco Inc. 04/21/09
19028424 Synthesis and stereochemical effects of pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidines as EGFR and ErbB-2 inhibitors. GSK 04/21/09
19278250 A selective matrix metalloprotease 12 inhibitor for potential treatment of chronic obstructive pulmonary disease (COPD): discovery of (S)-2-(8-(methoxycarbonylamino)dibenzo[b,d]furan-3-sulfonamido)-3-methylbutanoic acid (MMP408). Wyeth Research 04/20/09
19296695 Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors. University of Alberta 04/20/09
19217779 Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors. Amgen 04/20/09
19256503 Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode. Boehringer Ingelheim Pharmaceuticals Inc. 04/20/09
19208477 Synthesis and evaluation of aniline headgroups for alkynyl thienopyrimidine dual EGFR/ErbB-2 kinase inhibitors. GSK 04/20/09
19097784 Discovery of thiophene inhibitors of polo-like kinase. GSK 04/19/09
19217781 The use of oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 1: Establishing the pharmacophore. GSK 04/19/09
18763755 Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor acti Bristol-Myers Squibb Company 04/06/09
19173605 Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) (dagger). Universita degli Studi 04/06/09
19228017 Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold. Genentech, Inc. 04/06/09
19193011 Pyrido[2,3-d]pyrimidin-5-ones: A Novel Class of Antiinflammatory Macrophage Colony-Stimulating Factor-1 Receptor Inhibitors (dagger). Johnson & Johnson Pharmaceutical 04/06/09
19260677 Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents. Toronto General Research Institute 04/06/09
19170530 Thioamide Hydroxypyrothiones Supersede Amide Hydroxypyrothiones in Potency against Anthrax Lethal Factor. Howard Hughes Medical Institute 04/06/09
18287036 6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases. GSK 04/05/09
19217287 Development of multitargeted inhibitors of both the insulin-like growth factor receptor (IGF-IR) and members of the epidermal growth factor family of receptor tyrosine kinases. Abbott Laboratories 04/05/09
19143533 Discovery and Structure-Activity Relationships of Trisubstituted Pyrimidines/Pyridines as Novel Calcium-Sensing Receptor Antagonists. Bristol-Myers Squibb Company 04/05/09
19260711 Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily. Bristol-Myers Squibb Company 04/05/09
19256504 Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol acyltransferase-1 inhibitor. AstraZeneca 04/05/09
19245211 Synthesis and pharmacological characterization of beta2-adrenergic agonist enantiomers: zilpaterol. Intervet Innovation GmbH 04/05/09
19243938 Design, synthesis, and evaluation of peptidomimetics containing Freidinger lactams as STAT3 inhibitors. University of Michigan at Ann Arbor 04/04/09
19231176 Discovery of tetrahydro-cyclopenta[b]indole as selective LXRs modulator. F. Hoffmann-La Roche Ltd 04/04/09
19217782 Identification of a selective thieno[2,3-c]pyridine inhibitor of COT kinase and TNF-alpha production. Abbott Laboratories 04/04/09
19041240 Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment. Wyeth Research 04/04/09
18501599 Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment. Wyeth Research 04/04/09
19056263 Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: potent inhibitors of the IGF-1R receptor tyrosine kinase. GSK 03/25/09
19131248 N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1). MethylGene Inc. 03/25/09
19071018 Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. GSK 03/25/09
19007201 Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase. Roche Palo Alto LLC 03/24/09
19128971 Discovery of 2-(alpha-methylbenzylamino) pyrazines as potent Type II inhibitors of FMS. Cytopia Research Pty Ltd 03/24/09
16288880 Discovery of potent and selective PARP-1 and PARP-2 inhibitors: SBDD analysis via a combination of X-ray structural study and homology modeling. Fujisawa Pharmaceutical Co. Ltd 03/24/09
18713665 Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors. Deltagen Research Laboratories 03/24/09
19138518 Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases. Boehringer Ingelheim (Canada) Ltd. 03/24/09
19175319 Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays (dagger). Pfizer 03/24/09
19170521 Specific Targeting of Highly Conserved Residues in the HIV-1 Reverse Transcriptase Primer Grip Region. 2. Stereoselective Interaction to Overcome the Effects of Drug Resistant Mutations. Universita di Siena 03/24/09
19138846 Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. GSK 03/23/09
18579376 Novel alkoxybenzamide inhibitors of poly(ADP-ribose) polymerase. KuDOS Pharmaceuticals Ltd 03/23/09
19138845 Parallel medicinal chemistry approaches to selective HDAC1/HDAC2 inhibitor (SHI-1:2) optimization. Merck Research Laboratories 03/23/09
19167883 Tricyclic HIV integrase inhibitors: VI. SAR studies of 'benzyl flipped' C3-substituted pyrroloquinolines. Gilead Sciences Inc. 03/23/09
18201066 Cdc7 kinase inhibitors: pyrrolopyridinones as potential antitumor agents. 1. Synthesis and structure-activity relationships. Nerviano Medical Sciences Srl 03/10/09
17416521 Discovery and structure-activity relationship studies of indole derivatives as liver X receptor (LXR) agonists. Tanabe Research Laboratories USA 03/10/09
19143565 Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases. Institute of Chemistry in Estonia 03/10/09
18800822 4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1. KuDOS Pharmaceuticals Ltd. 03/09/09
16997559 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase. GSK 03/09/09
16078828 Discovery of potent poly(ADP-ribose) polymerase-1 inhibitors from the modification of indeno[1,2-c]isoquinolinone. Inotek Pharmaceuticals Corporation 03/09/09
18809672 Imidazoquinolinone, imidazopyridine, and isoquinolindione derivatives as novel and potent inhibitors of the poly(ADP-ribose) polymerase (PARP): a comparison with standard PARP inhibitors. University of Konstanz 03/09/09
19071019 Synthesis and evaluation of pyrido-thieno-pyrimidines as potent and selective Cdc7 kinase inhibitors. Roche 03/09/09
17502144 The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases. GSK 03/09/09
17587573 2-Aryl-N-acyl indole derivatives as liver X receptor (LXR) agonists. Tanabe Research Laboratories USA 03/08/09
19102698 Discovery of 1-[9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic acid amide hydrochloride (CP-945,598), a novel, potent, and selective cannabinoid type 1 receptor antagonist. Pfizer 03/08/09
19115845 First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. Nerviano Medical Sciences Srl 03/08/09
19093884 Non-peptide macrocyclic histone deacetylase inhibitors. Georgia Institute of Technology 03/07/09
19128055 Pyrazolo[1,5-a]-1,3,5-triazine as a purine bioisostere: access to potent cyclin-dependent kinase inhibitor (R)-roscovitine analogue. Universite de Lyon 03/06/09
18683917 The alkaloid conessine and analogues as potent histamine H3 receptor antagonists. Abbott Laboratories 03/06/09
19143569 Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the treatment of cancer. Abbott Laboratories 02/24/09
19167885 Synthesis and SAR of potent LXR agonists containing an indole pharmacophore. GSK 02/24/09
18541433 Discovery and SAR of 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide: A potent inhibitor of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. Abbott Laboratories 02/23/09
19102654 Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease. Schering-Plough Research Institute 02/23/09
19041249 Discovery and structure-activity relationships of 4-aminoquinazoline derivatives, a novel class of opioid receptor like-1 (ORL1) antagonists. Nippon Shinyaku Co. 02/23/09
19143567 Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity. Astex 02/23/09
19168351 Novel potent inhibitors of hepatitis C virus (HCV) NS3 protease with cyclic sulfonyl P3 cappings. Schering-Plough Research Institute 02/23/09
19119014 Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Universita degli Studi di Firenze 02/22/09
19128966 Carbonic anhydrase inhibitors: the membrane-associated isoform XV is highly inhibited by inorganic anions. Universita degli Studi di Firenze 02/22/09
19193158 Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV. University of Tampere 02/22/09
19147350 Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: part 2. Schering-Plough Research Institute 02/22/09
19154150 Design, synthesis, and evaluation of oxygen-containing macrocyclic peptidomimetics as inhibitors of HCV NS3 protease. Schering-Plough Research Institute 02/20/09
19022670 Potent inhibitors of HCV-NS3 protease derived from boronic acids. Schering-Plough Research Institute 02/20/09
14766749 Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors. Vertex 02/11/09
18930400 2-Aminobenzimidazoles as potent ITK antagonists: trans-stilbene-like moieties targeting the kinase specificity pocket. Boehringer Ingelheim Pharmaceuticals Inc. 02/10/09
17218638 Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase. Loma Linda University 02/10/09
18234496 Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bristol-Myers Squibb Company 02/09/09
19111460 Discovery of potent inhibitors of interleukin-2 inducible T-cell kinase (ITK) through structure-based drug design. Boehringer Ingelheim Pharmaceuticals Inc. 02/09/09
18242982 Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bristol-Myers Squibb Company 02/09/09
16866524 The putative endocannabinoid transport blocker LY2183240 is a potent inhibitor of FAAH and several other brain serine hydrolases. The Scripps Research Institute 02/09/09
18171615 BACE-1 inhibitors part 3: identification of hydroxy ethylamines (HEAs) with nanomolar potency in cells. GSK 02/08/09
17459705 Novel inhibitors of fatty acid amide hydrolase. Bristol-Myers Squibb Company 02/08/09
17949010 Novel mechanistic class of fatty acid amide hydrolase inhibitors with remarkable selectivity. Pfizer 02/08/09
19072118 Synthesis and evaluation of benzothiazole-based analogues as novel, potent, and selective fatty acid amide hydrolase inhibitors. Abbott Laboratories 02/08/09
18290603 Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase. Vertex 02/07/09
17251021 Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase. Valeant Pharmaceuticals Research and Development 02/07/09
18790640 Isoxazolo[3,4-b]quinoline-3,4(1H,9H)-diones as unique, potent and selective inhibitors for Pim-1 and Pim-2 kinases: chemistry, biological activities, and molecular modeling. Abbott Laboratories 02/07/09
19072652 Synthesis and evaluation of novel inhibitors of Pim-1 and Pim-2 protein kinases. Medical University of South Carolina 02/07/09
18042731 Potent inhibition of human apurinic/apyrimidinic endonuclease 1 by arylstibonic acids. The Johns Hopkins University 01/30/09
19072053 Pharmacophore guided discovery of small-molecule human apurinic/apyrimidinic endonuclease 1 inhibitors. University of Southern California 01/27/09
18054488 Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones. Vertex Pharmaceuticals 01/26/09
18282708 Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bristol-Myers Squibb Company 01/26/09
19010686 Structure-activity relationship studies of 5-benzylaminoimidazo[1,2-c]pyrimidine-8-carboxamide derivatives as potent, highly selective ZAP-70 kinase inhibitors. Kissei Pharmaceutical Company 01/26/09
19054672 Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Schering-Plough Research Institute 01/25/09
17289381 Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides. Vertex Pharmaceuticals 01/25/09
19007108 Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase. University of Connecticut 01/25/09
18457381 Second generation of hydroxyethylamine BACE-1 inhibitors: optimizing potency and oral bioavailability. GSK 01/24/09
18005335 Selectivity-determining residues in Plk1. Pfizer 01/24/09
18620382 Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor. GSK 01/23/09
19036583 Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement. Merck Research Laboratories 01/23/09
19007109 Novel Naphthalene-N-sulfonyl-d-glutamic Acid Derivatives as Inhibitors of MurD, a Key Peptidoglycan Biosynthesis Enzyme. Lek Pharmaceuticals d.d. 01/23/09
18817367 Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class of histamine H4 receptor antagonists with improved druglikeness and in vivo efficacy in pain and inflammation models. Abbott Laboratories 01/23/09
18321037 Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. Amgen 01/07/09
18998662 Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors. Bristol-Myers Squibb Company 01/05/09
19007202 Development of Novel G-Protein-Coupled Receptor 54 Agonists with Resistance to Degradation by Matrix Metalloproteinase. Kyoto University 01/05/09
18678489 Discovery of a potent and selective aurora kinase inhibitor. Sunesis Pharmaceuticals 01/05/09
17373783 Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase. AstraZeneca 01/05/09
18620380 Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid. Monash University 01/05/09
18973287 Structural Requirements for Eszopiclone and Zolpidem Binding to the gamma-Aminobutyric Acid Type-A (GABAA) Receptor Are Different. University of Wisconsin at Madison 01/05/09
19006379 Triazine Compounds as Antagonists at Bv8-Prokineticin Receptors. University of Ferrara 01/05/09
18805694 Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators. The Ohio State University 01/04/09
18947224 Lead Optimization of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A Adenosine Receptor Antagonists for the Treatment of Parkinson's Disease. Neurocrine Bioscience 01/04/09
18811133 Structure-activity studies on a series of a 2-aminopyrimidine-containing histamine H4 receptor ligands. Abbott Laboratories 01/04/09
18983139 cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), A New Histamine H4R Antagonist that Blocks Pain Responses against Carrageenan-Induced Hyperalgesia. Abbott Laboratories 01/04/09
19012392 Design, Synthesis, and Evaluation of Tricyclic, Conformationally Constrained Small-Molecule Mimetics of Second Mitochondria-Derived Activator of Caspases. Shanghai Institute of Organic Chemistry 01/03/09
18954041 Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-linked Inhibitor of Apoptosis Protein (XIAP). University of Michigan 01/03/09
18851976 Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. University of Milano 01/03/09
18294849 Synthesis and SAR of 1-acetanilide-4-aminopyrazole-substituted quinazolines: selective inhibitors of Aurora B kinase with potent anti-tumor activity. AstraZeneca 01/01/09
18942827 Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors. Novartis 12/19/08
18621524 The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase. GSK 12/19/08
17636914 Fragment-based substrate activity screening method for the identification of potent inhibitors of the Mycobacterium tuberculosis phosphatase PtpB. University of California at Berkeley 12/18/08
18922779 Identification of a new JNK inhibitor targeting the JNK-JIP interaction site. Burnham Institute for Medical Research 12/18/08
18973288 Indazole-Based Liver X Receptor (LXR) Modulators with Maintained Atherosclerotic Lesion Reduction Activity but Diminished Stimulation of Hepatic Triglyceride Synthesis Wyeth Research 12/18/08
15911271 Inhibition of IKK-2 by 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides. Pfizer 12/18/08
18942826 Inhibitor Scaffolds for 2-Oxoglutarate-Dependent Histone Lysine Demethylases. University of Oxford 12/18/08
17349580 Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity. Harvard Medical School 12/18/08
18579385 Carbonic anhydrase inhibitors: Inhibition of mammalian isoforms I?XIV with a series of substituted phenols including paracetamol and salicylic acid. Universita degli Studi di Firenze 12/17/08
18983140 Discovery of Boronic Acids as Novel and Potent Inhibitors of Fatty Acid Amide Hydrolase. University of Oxford 12/17/08
18956862 Fragment-Based Design of Small Molecule X-Linked Inhibitor of Apoptosis Protein Inhibitors. Burnham Institute for Medical Research 12/17/08
17600705 N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: indazoles as phenol isosteres with improved pharmacokinetics. GSK 12/17/08
18844338 Virtual screening to successfully identify novel janus kinase 3 inhibitors: a sequential focused screening approach. Johnson & Johnson Pharmaceutical 12/16/08
18227510 The T790M mutation in EGFR kinase causes drug resistance by increasing the affinity for ATP. Harvard Medical School 12/15/08
17981461 Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR. GSK 12/08/08
18006306 Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode. GSK 12/06/08
18374572 Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Universita degli Studi di Firenze 12/06/08
17197177 Synthesis and biological evaluation of 4-amino derivatives of benzimidazoquinoxaline, benzimidazoquinoline, and benzopyrazoloquinazoline as potent IKK inhibitors. Bristol-Myers Squibb Company 12/06/08
18790643 A study of the structure-activity relationship of GABA(A)-benzodiazepine receptor bivalent ligands by conformational analysis with low temperature NMR and X-ray analysis. University of Wisconsin-Milwaukee 12/05/08
18819811 Carbonic anhydrase inhibitors: synthesis and inhibition studies against mammalian isoforms I-XV with a series of 2-(hydrazinocarbonyl)-3-substituted-phenyl-1H-indole-5-sulfonamides. Istanbul University 12/05/08
18855374 Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). Saarland University 12/05/08
17723305 Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides. Incyte Corporation 12/05/08
17846131 Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography. University of California at San Francisco 12/05/08
18834108 Structure-based approach to the development of potent and selective inhibitors of dihydrofolate reductase from cryptosporidium. University of Connecticut at Storrs 12/05/08
18571418 Synthesis, biological evaluation and molecular modelling of N-heterocyclic dipeptide aldehydes as selective calpain inhibitors. University of Canterbury 12/05/08
18812261 The molecular interactions of buspirone analogues with the serotonin transporter. National Medicines Institute 12/05/08
17540562 Synthesis and structure-activity relationship of imidazo(1,2-a)thieno(3,2-e)pyrazines as IKK-beta inhibitors. Bristol-Myers Squibb Company 12/04/08
18640037 Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies. Universita degli Studi di Firenze 12/03/08
18287029 Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Plexxikon 11/24/08
18307303 Discovery of selective aminothiazole aurora kinase inhibitors. Novartis 11/24/08
18672868 Synthesis, biological evaluation, and molecular modeling of abiraterone analogues: novel CYP17 inhibitors for the treatment of prostate cancer. Saarland University 11/24/08
18585390 The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor. University of Alberta 11/24/08
15655528 The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors. University of Nottingham 11/24/08
18783200 Identification, characterization and initial hit-to-lead optimization of a series of 4-arylamino-3-pyridinecarbonitrile as protein kinase C theta (PKCtheta) inhibitors. Wyeth Research 11/23/08
18473434 Novel inhibitors of the v-raf murine sarcoma viral oncogene homologue B1 (BRAF) based on a 2,6-disubstituted pyrazine scaffold. Cancer Research UK Centre for Cancer Therapeutics 11/23/08
18676143 Potent and selective pyrazole-based inhibitors of B-Raf kinase. Array BioPharma 11/23/08
18793847 Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors. Sunesis Pharmaceuticals 11/22/08
18834107 Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors. The Scripps Research Institute 11/22/08
18842034 Potent, selective and orally bioavailable dihydropyrimidine inhibitors of Rho kinase (ROCK1) as potential therapeutic agents for cardiovascular diseases. GSK 11/22/08
18925736 Structure-activity relationship studies of phenanthridine-based Bcl-XL inhibitors. A*STAR 11/22/08
18921992 Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications. Pfizer 11/21/08
18855373 Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors. The Scripps Research Institute 11/21/08
18783202 Identification of BRAF inhibitors through in silico screening. University of Pennsylvania 11/11/08
17567585 X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy. Jacobus Pharmaceutical Company 11/11/08
18440229 2-Trifluoroacetylthiophenes, a novel series of potent and selective class II histone deacetylase inhibitors. IRBM/Merck 11/10/08
18778048 Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening. Yale University 11/10/08
18800762 Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. National Taiwan University 11/10/08
18434142 Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines. AstraZeneca 11/10/08
18783211 Synthesis of bivalent beta2-adrenergic and adenosine A1 receptor ligands. Monash University 11/10/08
17884497 The discovery of substituted 4-(3-hydroxyanilino)-quinolines as potent RET kinase inhibitors. GlaxoSmithKline 11/10/08
18378451 Design and campaign synthesis of pyridine-based histone deacetylase inhibitors. AstraZeneca 11/09/08
18811140 Discovery and X-ray crystallographic analysis of a spiropiperidine iminohydantoin inhibitor of beta-secretase. Merck Research Laboratories 11/09/08
18378449 Design and campaign synthesis of piperidine- and thiazole-based histone deacetylase inhibitors. AstraZeneca 11/08/08
18763751 Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. Merck Research Laboratories 11/08/08
18783203 Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies. Purdue University 11/08/08
18370373 A novel series of potent and selective ketone histone deacetylase inhibitors with antitumor activity in vivo. IRBM/Merck 10/28/08
18759424 Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containi Burnham Institute for Medical Research 10/28/08
17685602 Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction. TargeGen Inc. 10/28/08
18754655 Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain. Novartis 10/28/08
18308563 Probing the elusive catalytic activity of vertebrate class IIa histone deacetylases. IRBM/Merck 10/28/08
17095227 Design and synthesis of phenethyl benzo[1,4]oxazine-3-ones as potent inhibitors of PI3Kinasegamma. Pfizer 10/27/08
17655330 Pharmacological and functional comparison of the polo-like kinase family: insight into inhibitor and substrate specificity. Abbott Laboratories 10/27/08
17172449 Phosphoinositide 3-kinase gamma/delta inhibition limits infarct size after myocardial ischemia/reperfusion injury. TargeGen Inc. 10/27/08
17049248 Synthesis and biological evaluation of imidazo[1,2-a]pyridine derivatives as novel PI3 kinase p110alpha inhibitors. Astellas Pharma Inc. 10/27/08
17040210 BI-D1870 is a specific inhibitor of the p90 RSK (ribosomal S6 kinase) isoforms in vitro and in vivo. University of Dundee 10/26/08
17601739 Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazo[1,2-a]pyridines as novel PI3 kinase p110alpha inhibitors. Astellas Pharma Inc. 10/26/08
18754654 The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer . Piramed Pharma 10/26/08
18800763 Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase. GlaxoSmithKline 10/25/08
17098432 Anti-breast cancer activity of LFM-A13, a potent inhibitor of Polo-like kinase (PLK). Paradigm Pharmaceuticals 10/14/08
16951187 AMG 706, an oral, multikinase inhibitor that selectively targets vascular endothelial growth factor, platelet-derived growth factor, and kit receptors, potently inhibits angiogenesis and induces regression in tumor xenografts. Amgen 10/13/08
18343106 Beta-lactam congeners of orlistat as inhibitors of fatty acid synthase. Texas A&M University 10/13/08
18717581 Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases. Wroclaw University of Technology 10/13/08
16632359 Discovery of novel isothiazole inhibitors of the TrkA kinase: structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists. Pfizer 10/13/08
18318466 Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors. Bryn Mawr College 10/13/08
17620441 Novel antagonists of the thioesterase domain of human fatty acid synthase. Burnham Institute for Medical Research 10/13/08
18729351 Potent cationic inhibitors of West Nile virus NS2B/NS3 protease with serum stability, cell permeability and antiviral activity. University of Queensland 10/13/08
18456494 Synthesis and structure based optimization of novel Akt inhibitors. Pfizer 10/13/08
18790636 Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors. Sunesis Pharmaceuticals 10/12/08
18714982 Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models. Cephalon 10/12/08
18249537 Development of pyridopyrimidines as potent Akt1/2 inhibitors. Merck Research Laboratories 10/11/08
18294842 Optimization of 2,3,5-trisubstituted pyridine derivatives as potent allosteric Akt1 and Akt2 inhibitors. Merck Research Laboratories 10/11/08
18763753 Design, synthesis, and biological evaluation of potent c-Met inhibitors. Amgen 10/10/08
16420054 Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. Bryn Mawr College 10/10/08
18702480 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action. Aristotle University 09/30/08
18630890 A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. Genentech 09/30/08
18637666 Novel 4-aminoquinolines active against chloroquine-resistant and sensitive P. falciparum strains that also inhibit botulinum serotype A. UniVersity of Belgrade 09/30/08
18710209 Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid. Eberhard-Karls-University Tuebingen 09/30/08
18686942 Asymmetric synthesis of inhibitors of glycinamide ribonucleotide transformylase. The Scripps Research Institute 09/29/08
16731764 CRA-024781: a novel synthetic inhibitor of histone deacetylase enzymes with antitumor activity in vitro and in vivo. Celera Genomics 09/29/08
12725862 Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition. University of North Carolina at Chapel Hill 09/29/08
18570366 Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor. MethylGene Inc. 09/29/08
18646745 Identification of 4-aminopyrazolylpyrimidines as potent inhibitors of Trk kinases. AstraZeneca 09/29/08
18656911 Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design. Astex 09/29/08
18665584 Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. Bryn Mawr College 09/29/08
18680359 Inhibitors of Src homology-2 domain containing protein tyrosine phosphatase-2 (Shp2) based on oxindole scaffolds. Moffitt Cancer Center 09/28/08
18690678 Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships. Vertex 09/28/08
18710210 Synthesis of novel beta-lactone inhibitors of fatty acid synthase. The Burnham Institute for Medical Research 09/28/08
18540668 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase. Pfizer 09/17/08
18426196 Discovery and optimization of triazolopyridazines as potent and selective inhibitors of the c-Met kinase. Amgen 09/16/08
18434145 Discovery of a novel and potent series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases. MethylGene Inc. 09/16/08
18553959 Discovery of a potent, selective, and orally bioavailable c-Met inhibitor: 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (AMG 458). Amgen 09/16/08
18690676 Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities. Bristol-Myers Squibb Company 09/16/08
18494463 A series of potent and selective, triazolylphenyl-based histone deacetylases inhibitors with activity against pancreatic cancer cells and Plasmodium falciparum. University of Illinois at Chicago 09/15/08
17095214 Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. AstraZeneca 09/15/08
18522386 Triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against the malaria parasite Plasmodium falciparum. University of Texas Southwestern Medical Center at Dallas 09/15/08
18590272 Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity. University of Bath 09/14/08
17580845 Dual aromatase-steroid sulfatase inhibitors. University of Bath 09/14/08
18588282 Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. Johnson & Johnson Pharmaceutical 09/14/08
18578471 Synthesis and pharmacological evaluation of novel gamma-aminobutyric acid type B (GABAB) receptor agonists as gastroesophageal reflux inhibitors. AstraZeneca 09/14/08
18394906 Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Berlex Biosciences 09/14/08
16458511 Inhibitors of human mitotic kinesin Eg5: characterization of the 4-phenyl-tetrahydroisoquinoline lead series. Bristol-Myers Squibb Company 08/04/08
16439123 Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP. Merck Research Laboratories 08/04/08
18636690 Structural basis for the potent calpain inhibitory activity of peptidyl alpha-ketoacids. University of Tennessee Health Science Center 08/04/08
17498954 Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors. Kalypsys, Inc. 08/04/08
15634023 Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators. Institut Claudius Regaud 08/04/08
17804234 5'-Phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (aggrecanase-2). Wyeth Research 08/03/08
16275085 Synthesis and biological evaluation of biphenylsulfonamide carboxylate aggrecanase-1 inhibitors. Wyeth Research 08/03/08
17239589 Discovery and preliminary evaluation of 5-(4-phenylbenzyl)oxazole-4-carboxamides as prostacyclin receptor antagonists. Pharmacopeia Drug Discovery Inc. 08/02/08
16844380 Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors. ENSCMu 08/02/08
16603356 Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP. Merck Research Laboratories 08/01/08
17766111 Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Merck Research Laboratories 08/01/08
16821772 Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase. Curacyte Chemistry GmbH 07/30/08
18343126 Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. University of Tokyo 07/26/08
17994679 Discovery of biaryl anthranilides as full agonists for the high affinity niacin receptor. Merck Research Laboratories 07/26/08
18266314 Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5. Institut de Biologie Structurale 07/26/08
18522384 Chemically induced dimerization of human nonpancreatic secretory phospholipase A2 by bis-indole derivatives. Peking University 07/25/08
17993277 Design of new potent and selective secretory phospholipase A2 inhibitors. Part 5: synthesis and biological activity of 1-alkyl-4-[4,5-dihydro-1,2,4-[4H]-oxadiazol-5-one-3-ylmethylbenz-4'-yl(oyl)] piperazines. Universite Paris 7-Denis Diderot 07/25/08
17850059 N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. Montana State University 07/25/08
17636949 Synthesis, flow cytometric evaluation, and identification of highly potent dipyridamole analogues as equilibrative nucleoside transporter 1 inhibitors. University of Tennessee Health Science Center 07/25/08
18459730 Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors. University of Namur 07/24/08
15743201 Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents. Quorex Pharmaceuticals Inc. 07/24/08
17466326 Crystal structures of multidrug binding protein TtgR in complex with antibiotics and plant antimicrobials. Imperial College London 07/23/08
18247549 Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors: Part I--discovery of two binding modes. Schering-Plough Research Institute 07/23/08
16407274 Effector-repressor interactions, binding of a single effector molecule to the operator-bound TtgR homodimer mediates derepression. Consejo Superior de Investigaciones Cientificas 07/23/08
14718605 Identification and characterization of 4-[[4-(2-butynyloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-(3S)thiomorpholinecarboxamide (TMI-1), a novel dual tumor necrosis factor-alpha-converting enzyme/matrix metalloprotease inhibitor for the treatment of rheumatoid arthritis. Wyeth Research 07/23/08
17606376 Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Wyeth Research 07/23/08
17296300 Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC. University of San Francisco 07/12/08
17293454 An in vitro and in vivo disconnect uncovered through high-throughput identification of botulinum neurotoxin A antagonists. The Scripps Research Institute 07/12/08
16451085 Design, synthesis, and biological activity of novel polycyclic aza-amide FKBP12 ligands. Pfizer 07/12/08
17951059 Synthesis and structure-activity relationships of second-generation hydroxamate botulinum neurotoxin A protease inhibitors. The Scripps Research Institute 07/12/08
12139467 Synthesis of ketone analogues of prolyl and pipecolyl ester FKBP12 ligands. Guilford Pharmaceuticals, Inc. 07/12/08
17417831 A refined pharmacophore identifies potent 4-amino-7-chloroquinoline-based inhibitors of the botulinum neurotoxin serotype A metalloprotease. National Cancer Institute at Frederick 07/11/08
17636950 Design, synthesis, and biological evaluation of Plasmodium falciparum lactate dehydrogenase inhibitors. University of Mississippi 07/11/08
18507367 Flavonoids for controlling starch digestion: structural requirements for inhibiting human alpha-amylase. Nestle Research Center 07/11/08
15117937 Identification and activity of a series of azole-based compounds with lactate dehydrogenase-directed anti-malarial activity. University of Bristol 07/11/08
16597152 Identification of a potent botulinum neurotoxin a protease inhibitor using in situ lead identification chemistry. The Scripps Research Institute 07/11/08
17761421 Identification of novel chemical inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening. Waseda University 07/11/08
17116397 Substrate specificity analysis and inhibitor design of homoisocitrate dehydrogenase. Tokyo Institute of Technology 07/11/08
18086528 Thiahomoisocitrate: a highly potent inhibitor of homoisocitrate dehydrogenase involved in the alpha-aminoadipate pathway. Tokyo Institute of Technology 07/11/08
16844375 Binding mode of new (thio)hydantoin inhibitors of fatty acid amide hydrolase: comparison with two original compounds, OL-92 and JP104. FUNDP 07/08/08
18565342 Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors. Gilead Sciences Inc. 07/08/08
18343121 Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits. University of Mississippi 07/08/08
17559203 Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. The Scripps Research Institute 06/30/08
14709046 A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization. Fujisawa Pharmaceutical Co., Ltd. 06/29/08
15598563 Asymmetric synthesis and biological evaluation of the enantiomeric isomers of the immunosuppressive FTY720-phosphate. Mitsubishi Pharma Corporation 06/29/08
10639181 Biochemically based design of cyclooxygenase-2 (COX-2) inhibitors: facile conversion of nonsteroidal antiinflammatory drugs to potent and highly selective COX-2 inhibitors. Vanderbilt University School of Medicine 06/29/08
15947036 Evaluation of histamine H1-, H2-, and H3-receptor ligands at the human histamine H4 receptor: identification of 4-methylhistamine as the first potent and selective H4 receptor agonist. Vrije Universiteit Amsterdam 06/29/08
15901723 NAD+-dependent DNA Ligase (Rv3014c) from Mycobacterium tuberculosis. Crystal structure of the adenylation domain and identification of novel inhibitors. India Central Drug Research Institute 06/29/08
17557328 NAD+-dependent DNA ligase (Rv3014c) from Mycobacterium tuberculosis: novel structure-function relationship and identification of a specific inhibitor. India Central Drug Research Institute 06/29/08
18517260 Naturally Occurring Pentacyclic Triterpenes as Inhibitors of Glycogen Phosphorylase: Synthesis, Structure-Activity Relationships, and X-ray Crystallographic Studies. China Pharmaceutical University 06/29/08
18027904 New N-arachidonoylserotonin analogues with potential "dual" mechanism of action against pain. University of Rome La Sapienza 06/29/08
12643924 Structure-based de novo design of non-nucleoside adenosine deaminase inhibitors. Fujisawa Pharmaceutical Co., Ltd. 06/29/08
18507366 Synthesis and Biological Evaluation of d-Amino Acid Oxidase Inhibitors. MGI Pharma 06/29/08
17052908 Synthesis and biological evaluation of phenolic Mannich bases of benzaldehyde and (thio)semicarbazone derivatives against the cysteine protease falcipain-2 and a chloroquine resistant strain of Plasmodium falciparum. University of Cape Town 06/29/08
17941623 Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. St. Jude Research Hospital 06/28/08
15139750 Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors. Fujisawa Pharmaceutical Co., Ltd. 06/20/08
15239652 Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors. Fujisawa Pharmaceutical Co., Ltd. 06/20/08
17154493 4,5-dihydroxypyrimidine carboxamides and N-alkyl-5-hydroxypyrimidinone carboxamides are potent, selective HIV integrase inhibitors with good pharmacokinetic profiles in preclinical species. IRBM-MRL 06/15/08
18217703 Design and synthesis of bicyclic pyrimidinones as potent and orally bioavailable HIV-1 integrase inhibitors. IRBM-MRL 06/15/08
17824681 Discovery and synthesis of HIV integrase inhibitors: development of potent and orally bioavailable N-methyl pyrimidones. IRBM-MRL 06/15/08
15828829 Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. University of Mississippi 06/15/08
17378546 Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. St. Jude Research Hospital 06/15/08
16316253 Strong solute-solute dispersive interactions in a protein-ligand complex. University of Leeds 06/15/08
15355974 Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening. The Scripps Research Institute 06/14/08
15725032 Development of a technique to determine bicyclomycin-rho binding and stoichiometry by isothermal titration calorimetry and mass spectrometry. University of North Carolina at Chapel Hill 06/14/08
17393456 Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation. University College London 06/14/08
18042718 Protein protein interaction inhibition (2P2I) combining high throughput and virtual screening: Application to the HIV-1 Nef protein. CNRS 06/14/08
17324932 Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. The Scripps Research Institute 06/14/08
16935302 Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor. University of Leeds 06/14/08
18433114 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. VU University Amsterdam 06/13/08
14722321 A potent and selective histamine H4 receptor antagonist with anti-inflammatory properties. Johnson & Johnson Pharmaceutical 06/13/08
16990005 Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands. Johnson & Johnson Pharmaceutical 06/13/08
17656360 Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides. Michigan State University 06/13/08
16821792 Design and synthesis of novel 2-amino-5-hydroxyindole derivatives that inhibit human 5-lipoxygenase. Friedrich Alexander University Erlangen 05/31/08
15857113 Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma. GSK 05/31/08
16307879 Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma. GSK 05/31/08
16509583 Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases. University of Alberta 05/31/08
18419108 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme-Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice. Biovitrum AB 05/30/08
17240142 Solid phase synthesis and SAR of small molecule agonists for the GPR40 receptor. GSK 05/30/08
18412327 Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors. University of Notre Dame 05/30/08
17500511 Synthesis and biological evaluation of 3-aryl-3-(4-phenoxy)-propionic acid as a novel series of G protein-coupled receptor 40 agonists. Johnson & Johnson Pharmaceutical 05/30/08
17556356 Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism. Novartis 05/29/08
17154495 Identification of small molecule agonists of the orphan nuclear receptors liver receptor homolog-1 and steroidogenic factor-1. University of Southampton 05/29/08
17602602 Synthesis, monoamine transporter binding, properties, and functional monoamine uptake activity of 3beta-[4-methylphenyl and 4-chlorophenyl]-2 beta-[5-(substituted phenyl)thiazol-2-yl]tropanes. Research Triangle Institute 05/29/08
18311898 Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition. Aristotle University 05/28/08
17656086 Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment. Bristol-Myers Squibb Company 05/28/08
15713402 Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase. Bristol-Myers Squibb Company 05/28/08
18412317 (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Acid (BMS-644950): A Rationally Designed Orally Efficacious 3-Hydroxy-3-methylglutaryl Coenzyme-A Reductase Inhibitor with Reduced Myotoxicity Potential. Bristol-Myers Squibb Company 05/10/08
18393401 Design and Synthesis of 2- and 3-Substituted-3-phenylpropyl Analogs of 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine and 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine: Role of Amino, Fluoro, Hydroxyl, Methoxyl, Methyl, Methylene, and Oxo Substituents on Affinity f National Taiwan University 05/10/08
16190743 Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3. Merck Research Laboratories 05/10/08
17092714 SAR studies of 3-arylpropionic acids as potent and selective agonists of sphingosine-1-phosphate receptor-1 (S1P1) with enhanced pharmacokinetic properties. Merck Research Laboratories 05/10/08
18416543 Aza-peptidyl Michael Acceptors. A New Class of Potent and Selective Inhibitors of Asparaginyl Endopeptidases (Legumains) from Evolutionarily Diverse Pathogens. Georgia Institute of Technology 05/09/08
18251493 Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases. Industrial Research Limited 05/09/08
18173229 Development of potent purine-derived nitrile inhibitors of the trypanosomal protease TbcatB. University of California at San Francisco 05/09/08
17228885 New fluorescent 2-phenylindolglyoxylamide derivatives as probes targeting the peripheral-type benzodiazepine receptor: design, synthesis, and biological evaluation. Universita di Pisa 05/09/08
17676727 Targeting plague virulence factors: a combined machine learning method and multiple conformational virtual screening for the discovery of Yersinia protein kinase A inhibitors. The Rockefeller University 05/09/08
17228867 Optimization of monocarboxylate transporter 1 blockers through analysis and modulation of atropisomer interconversion properties. AstraZeneca 05/08/08
16455256 Potent blockers of the monocarboxylate transporter MCT1: novel immunomodulatory compounds. AstraZeneca 05/08/08
14718923 Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. University of California at Irvine 05/08/08
18393489 Synthesis of indoleamine 2,3-dioxygenase inhibitory analogues of the sponge alkaloid exiguamine a. University of British Columbia 05/08/08
17985858 Design and synthesis of novel and potent inhibitors of the type II transmembrane serine protease, matriptase, based upon the sunflower trypsin inhibitor-1. Georgetown University Medical Center 04/30/08
17973363 Discovery of a tetrazole-based growth hormone secretagogue: 4-(hydroxybutyl)carbamic acid 2-{5-[1-(2-amino-2-methylpropionylamino)-2- benzyloxyethyl]tetrazol-1-yl}ethyl ester (BMS-317180). Bristol-Myers Squibb Pharmaceutical Research Institute 04/30/08
17614291 Hydroxyethylene isosteres of selective neuronal nitric oxide synthase inhibitors. Northwestern University 04/30/08
18173230 Inhibition of adenosine deaminase by analogues of adenosine and inosine, incorporating a common heterocyclic base, 4(7)-amino-6(5)H-imidazo[4,5-d]pyridazin-7(4)one. University of Maryland Baltimore County 04/30/08
15916444 Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo. GLSynthesis Inc. 04/30/08
17715908 Inhibitors of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor alpha (TNF-alpha) production: selectivity and in vivo antiinflammatory activity of novel 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles. Wyeth Research 04/30/08
17425297 Structure-based design and synthesis of N(omega)-nitro-L-arginine-containing peptidomimetics as selective inhibitors of neuronal nitric oxide synthase. Displacement of the heme structural water. Northwestern University 04/30/08
18232652 Synthesis and pharmacological evaluation of 1,2-dihydrospiro[isoquinoline-4(3H),4'-piperidin]-3-ones as nociceptin receptor agonists. Istituto Superiore di Sanita 04/30/08
17292610 Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist. University of Tokyo 04/29/08
17477519 Design, synthesis, and in vitro testing of alpha-methylacyl-CoA racemase inhibitors. University of Liverpool 04/29/08
17274610 Indanylacetic acid derivatives carrying 4-thiazolyl-phenoxy tail groups, a new class of potent PPAR alpha/gamma/delta pan agonists: synthesis, structure-activity relationship, and in vivo efficacy. Bayer HealthCare Pharmaceuticals Corporation 04/29/08
17920884 New 'chemical probes' to examine the role of the hFPRL1 (or ALXR) receptor in inflammation. Amgen 04/29/08
18341273 Novel prostaglandin d synthase inhibitors generated by fragment-based drug design. AstraZeneca 04/20/08
17074800 Antibacterial activity and mechanism of action of a novel anilinouracil-fluoroquinolone hybrid compound. Microbiotix 04/19/08
18318467 Arginine binding motifs: design and synthesis of galactose-derived arginine tweezers as galectin-3 inhibitors. Lund University 04/19/08
17215127 Crystal structure of the PXR-T1317 complex provides a scaffold to examine the potential for receptor antagonism. University of North Carolina at Chapel Hill 04/19/08
18318469 Discovery of a New Class of Potent, Selective, and Orally Bioavailable CRTH2 (DP2) Receptor Antagonists for the Treatment of Allergic Inflammatory Diseases. Merck Serono 04/19/08
17685603 Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5. University di Perugia 04/19/08
12538898 Structural variation and inhibitor binding in polypeptide deformylase from four different bacterial species. GSK 04/19/08
16242339 Thioureido N-acetyllactosamine derivatives as potent galectin-7 and 9N inhibitors. Lund University 04/19/08
11906289 Toward an optimal joint recognition of the S1' subsites of endothelin converting enzyme-1 (ECE-1), angiotensin converting enzyme (ACE), and neutral endopeptidase (NEP). CNRS 04/19/08
18324760 Development of Potent and Selective Phosphinic Peptide Inhibitors of Angiotensin-Converting Enzyme 2. University of Athens 04/18/08
18314943 Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-beta Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-beta Receptor Type I Inhibitor as Antitumor Agent. Lilly Research Laboratories 04/18/08
17256834 Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL. Abbott Laboratories 04/18/08
12358520 Substrate-based design of the first class of angiotensin-converting enzyme-related carboxypeptidase (ACE2) inhibitors. Millennium Pharmaceuticals 04/18/08
18269230 Derivatives of 4-Amino-6-hydroxy-2-mercaptopyrimidine as Novel, Potent, and Selective A3 Adenosine Receptor Antagonists. Universita di Napoli 04/08/08
18189347 Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase. Toronto General Research Institute 04/08/08
18307293 2-Amino-N-pyrimidin-4-ylacetamides as A2A Receptor Antagonists: 2. Reduction of hERG Activity, Observed Species Selectivity, and Structure-Activity Relationships. Neuroscience 04/07/08
18311908 Characterization of Type II Ligands in CYP2C9 and CYP3A4. AstraZeneca 04/07/08
17948978 Discovery of N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine as a potent, selective, and orally active 5-HT(6) receptor agonist. Wyeth Research 04/07/08
18311894 Indol-3-yl-tetramethylcyclopropyl Ketones: Effects of Indole Ring Substitution on CB2 Cannabinoid Receptor Activity. Abbott Laboratories 04/07/08
17649988 Structure-activity relationship study on N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides, a class of 5-HT7 receptor agents. 2. Universita degli Studi di Bari 04/07/08
18293908 Synthesis, Cannabinoid Receptor Affinity, and Molecular Modeling Studies of Substituted 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. Sapienza Universitàadi Roma 04/07/08
18307292 2-Amino-N-pyrimidin-4-ylacetamides as A2A Receptor Antagonists: 1. Structure-Activity Relationships and Optimization of Heterocyclic Substituents. Neuroscience 04/06/08
17927164 Development of novel enkephalin analogues that have enhanced opioid activities at both mu and delta opioid receptors. University of Arizona at Tucson 04/06/08
16686530 Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors. University of Arizona at Tucson 04/06/08
17539621 Synthesis of Stable and Potent delta/mu Opioid Peptides: Analogues of H-Tyr-c[d-Cys-Gly-Phe-d-Cys]-OH by Ring-Closing Metathesis. Universita degli Studi 04/06/08
18260617 3-Amino-benzo[d]isoxazoles as Novel Multitargeted Inhibitors of Receptor Tyrosine Kinases. Abbott Laboratories 03/29/08
18266313 A Structure-Activity Relationship Study and Combinatorial Synthetic Approach of C-Terminal Modified Bifunctional Peptides That Are delta/mu Opioid Receptor Agonists and Neurokinin 1 Receptor Antagonists. University of Arizona at Tucson 03/29/08
17516639 Design, synthesis, and biological evaluation of novel bifunctional C-terminal-modified peptides for delta/mu opioid receptor agonists and neurokinin-1 receptor antagonists. University of Arizona at Tucson 03/29/08
18269228 Synthesis and structure-activity relationships of ring-opened 17-hydroxywortmannins: potent phosphoinositide 3-kinase inhibitors with improved properties and anticancer efficacy. Wyeth Research 03/29/08
18288792 2-Aryloxy-4-alkylaminopyridines: Discovery of Novel Corticotropin-Releasing Factor 1 Antagonists. Pfizer 03/28/08
18020435 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. Vernalis (R&D) Ltd 03/28/08
17709247 Design and synthesis of quinolin-2(1H)-one derivatives as potent CDK5 inhibitors. Amgen 03/28/08
17402721 Dihydropyridopyrazinones and dihydropteridinones as corticotropin-releasing factor-1 receptor antagonists: structure-activity relationships and computational modeling. Bristol-Myers Squibb Company 03/28/08
18260618 Discovery of Dapagliflozin: A Potent, Selective Renal Sodium-Dependent Glucose Cotransporter 2 (SGLT2) Inhibitor for the Treatment of Type 2 Diabetes. Bristol-Myers Squibb Company 03/28/08
18278855 Exploring inhibitor binding at the s' subsites of cathepsin L. National Research Council Canada 03/28/08
17697781 Structure-activity relationships of 3,4-dihydro-1H-quinazolin-2-one derivatives as potential CDK5 inhibitors. Amgen 03/28/08
18260619 Synthesis and SAR of 2-Aryloxy-4-alkoxy-pyridines as Potent Orally Active Corticotropin-Releasing Factor 1 Receptor Antagonists. Pfizer 03/28/08
18072727 Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Duquesne University 03/17/08
18197612 Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. Wyeth Research 03/17/08
17488003 Rationally designed high-affinity 2-amino-6-halopurine heat shock protein 90 inhibitors that exhibit potent antitumor activity. Biogen Idec 03/17/08
18215016 Design, Synthesis, Evaluation, and Crystallographic-Based Structural Studies of HIV-1 Protease Inhibitors with Reduced Response to the V82A Mutation. Universidad de Santiago de Compostela 03/16/08
18072718 Design, synthesis, and anti-inflammatory properties of orally active 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha mitogen-activated protein kinase inhibitors. Novartis Pharmaceuticals 03/16/08
12825935 Estrogen receptor modulators: identification and structure-activity relationships of potent ERalpha-selective tetrahydroisoquinoline ligands. Novartis Pharmaceuticals 03/16/08
16420067 Orally active purine-based inhibitors of the heat shock protein 90. Conforma Therapeutics Corporation 03/16/08
15658851 Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands. Novartis Pharmaceuticals 03/16/08
18072721 Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. Pfizer 03/16/08
11906280 Toward selective ERbeta agonists for central nervous system disorders: synthesis and characterization of aryl benzthiophenes. Novartis Pharmaceuticals 03/16/08
18183944 Validation of diacyl glycerolacyltransferase I as a novel target for the treatment of obesity and dyslipidemia using a potent and selective small molecule inhibitor. Abbott Laboratories 03/16/08
16913725 7'-substituted benzothiazolothio- and pyridinothiazolothio-purines as potent heat shock protein 90 inhibitors. Conforma Therapeutics Corporation 03/14/08
17583335 In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists. Abbott Laboratories 02/28/08
15689158 Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quinoline, isoquinoline, quinazoline, phthalazine, quinoxaline, and cinnoline moieties. Abbott Laboratories 02/28/08
17585749 Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides. Amgen 02/28/08
17585750 Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate. Amgen 02/28/08
17585751 Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties. Amgen 02/28/08
16580202 Discovery of SB-705498: a potent, selective and orally bioavailable TRPV1 antagonist suitable for clinical development. GSK 02/24/08
15203132 Discovery of small molecule antagonists of TRPV1. GSK 02/24/08
17660385 [3H]A-778317 [1-((R)-5-tert-butyl-indan-1-yl)-3-isoquinolin-5-yl-urea]: a novel, stereoselective, high-affinity antagonist is a useful radioligand for the human transient receptor potential vanilloid-1 (TRPV1) receptor. Abbott Laboratories 02/23/08
17507218 Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model. Abbott Laboratories 02/22/08
16621571 Structure-activity studies of a novel series of 5,6-fused heteroaromatic ureas as TRPV1 antagonists. Abbott Laboratories 02/22/08
17629487 Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists. Seoul National University 02/11/08
18154266 An oxazole-based small-molecule Stat3 inhibitor modulates Stat3 stability and processing and induces antitumor cell effects. University of Central Florida College of Medicine 02/11/08
17513110 Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry'. University of Michigan 02/11/08
16107141 Discovery of substituted maleimides as liver X receptor agonists and determination of a ligand-bound crystal structure. GlaxoSmithKline 02/11/08
12639546 Identification of a high-affinity phosphopeptide inhibitor of Stat3. The University of Texas at Houston 02/11/08
11985463 Identification of a nonsteroidal liver X receptor agonist through parallel array synthesis of tertiary amines. GlaxoSmithKline 02/11/08
16220982 Investigation of the binding determinants of phosphopeptides targeted to the SRC homology 2 domain of the signal transducer and activator of transcription 3. Development of a high-affinity peptide inhibitor. The University of Texas at Houston 02/11/08
11300870 Pharmacophore analysis of the nuclear oxysterol receptor LXRalpha. Dartmouth College 02/11/08
17463090 Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity. University of Central Florida College of Medicine 02/11/08
18072720 Stereospecific high-affinity TRPV1 antagonists: chiral N-(2-Benzyl-3-pivaloyloxypropyl) 2-[4-(methylsulfonylamino)phenyl]propionamide analogues. Seoul National University 02/11/08
17336521 Isoform selective inhibition of STAT1 or STAT3 homo-dimerization via peptidomimetic probes: structural recognition of STAT SH2 domains. Yale University 02/10/08
17665897 N-Acylthiadiazolines, a new class of liver X receptor agonists with selectivity for LXRbeta. GNF 01/16/08
16250633 A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats. Lilly Research Laboratories 01/15/08
17804226 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Lilly Research Laboratories 01/15/08
17391964 Further modification on phenyl acetic acid based quinolines as liver X receptor modulators. Wyeth Research 01/15/08
16302809 Interaction of papain-like cysteine proteases with dipeptide-derived nitriles. Rheinische Friedrich-Wilhelms-Universitat Bonn 01/15/08
17408953 Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core. Merck Frosst Centre for Therapeutic Research 01/07/08
12904076 A novel class of nonpeptidic biaryl inhibitors of human cathepsin K. Merck Frosst Centre for Therapeutic Research 01/06/08
17485205 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Lilly Research Laboratories 01/06/08
17614275 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Lilly Research Laboratories 01/06/08
17662603 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring. Lilly Research Laboratories 01/06/08
16480867 Dipeptide nitrile inhibitors of cathepsin K. Novartis Pharmaceuticals 01/06/08
17963370 Discovery of 5-Substituted-6-chlorouracils as Efficient Inhibitors of Human Thymidine Phosphorylase. Gilead Sciences Inc. 01/06/08
17256925 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. Novartis Pharmaceuticals 01/05/08
17157021 Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. GSK 01/05/08
17034120 Benzopyrans are selective estrogen receptor beta agonists with novel activity in models of benign prostatic hyperplasia. Lilly Research Laboratories 01/05/08
11262083 Cyclic ketone inhibitors of the cysteine protease cathepsin K. GSK 01/05/08
16509577 Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. GSK 01/05/08
16610787 Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators. Bristol-Myers Squibb Company 01/05/08
16451072 Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. Merck Frosst Centre for Therapeutic Research 01/04/08
16337119 Design and synthesis of novel 5,6-disubstituted uracil derivatives as potent inhibitors of thymidine phosphorylase. Academy of Sciences of the Czech Republic 01/04/08
17034119 Discovery of phenyl acetic acid substituted quinolines as novel liver X receptor agonists for the treatment of atherosclerosis. Wyeth Research 01/04/08
16302795 Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity. Merck Frosst Centre for Therapeutic Research 01/04/08
17649976 Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry. Wyeth Research 12/19/07
15723556 Use of binding enthalpy to drive an allosteric transition. University of Maryland at College Park 12/19/07
16412634 Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl. GNF 12/18/07
16876407 Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors. GNF 12/18/07
17469812 Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. University of California at Berkeley 12/18/07
16183279 Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. GNF 12/18/07
16413777 Identification of a potent and selective non-basic cathepsin K inhibitor. Merck Frosst Centre for Therapeutic Research 12/18/07
17034136 Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. University of California at Berkeley 12/18/07
16876402 Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. GNF 12/18/07
17382545 Synthesis and SAR of succinamide peptidomimetic inhibitors of cathepsin S. GNF 12/18/07
16446091 Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. GNF 12/18/07
17590332 The identification of potent, selective, and bioavailable cathepsin S inhibitors. Merck Frosst Centre for Therapeutic Research 12/18/07
16610800 2,4-diaminopyrimidine derivatives as potent growth hormone secretagogue receptor antagonists. Abbott Laboratories 12/10/07
17489582 Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. University of Illinois at Chicago 12/10/07
16854051 Discovery and pharmacological evaluation of growth hormone secretagogue receptor antagonists. Abbott Laboratories 12/10/07
17426033 Glyoxylate and pyruvate are antagonistic effectors of the Escherichia coli IclR transcriptional regulator. Banting and Best Department of Medical Research 12/10/07
17941625 Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. MethylGene Inc 12/10/07
17887776 Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4. University of Texas Medical Branch 12/10/07
17927165 Toward Potent Ghrelin Receptor Ligands Based on Trisubstituted 1,2,4-Triazole Structure. 2. Synthesis and Pharmacological in Vitro and in Vivo Evaluations. CNRS 12/10/07
17585753 Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419). Bristol-Myers Squibb Company 12/09/07
17765263 Nucleation of an allosteric response via ligand-induced loop folding. University of Maryland at College Park 12/09/07
17228884 Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. University of Illinois at Urbana 12/09/07
17149865 Subtle side-chain modifications of the hop phytoestrogen 8-prenylnaringenin result in distinct agonist/antagonist activity profiles for estrogen receptors alpha and beta. Ghent University 12/09/07
17948975 Synthesis, Crystal Structure, and Activity of Pyrazole-Based Inhibitors of p38 Kinase. Pfizer 12/09/07
17958343 Probing Binding Requirements of Type I and Type II Isoforms of Inosine Monophosphate Dehydrogenase with Adenine-Modified Nicotinamide Adenine Dinucleotide Analogues. University of Minnesota at Twin Citiies 12/02/07
17941624 Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors. Wyeth Research 11/25/07
17902635 New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series. CNRS 11/25/07
17915852 Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs. University of Pavia 11/25/07
16078847 Antidiabetic activity of passive nonsteroidal glucocorticoid receptor modulators. Abbott Laboratories 11/24/07
16828557 Arylisothiocyanato selective androgen receptor modulators (SARMs) for prostate cancer. University of Tennessee Health Science Center 11/24/07
15115388 Novel N-arylpyrazolo[3,2-c]-based ligands for the glucocorticoid receptor: receptor binding and in vivo activity. Merck Research Laboratories 11/24/07
17467988 Novel glucocorticoids containing a 6,5-bicyclic core fused to a pyrazole ring: synthesis, in vitro profile, molecular modeling studies, and in vivo experiments. Merck Research Laboratories 11/24/07
17910428 Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives. University of Bari 11/24/07
17929798 Design, synthesis, structure--selectivity relationship, and effect on human cancer cells of a novel series of histone deacetylase 6-selective inhibitors. Nagoya City University 11/23/07
17948981 Highly Potent, Water Soluble Benzimidazole Antagonist for Activated alpha(4)beta(1) Integrin. University of California at Davis 11/23/07
17915848 Small molecule inhibitors of integrin alpha2beta1. University of Pennsylvania 11/23/07
17958342 The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor. University of Southampton 11/23/07
16439135 Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Kyushu Institute of Technology 11/19/07
17914785 Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa. Bristol-Myers Squibb Company 11/11/07
15857115 Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor. Karo Bio AB 11/11/07
17154490 Thyroid receptor ligands. 6. A high affinity "direct antagonist" selective for the thyroid hormone receptor. Karo Bio AB 11/11/07
15177471 Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bristol-Myers Squibb 11/11/07
14521405 Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants. Bristol-Myers Squibb Company 11/10/07
8770901 Structure-function relationship of the inhibition of the 3,5,3'-triiodothyronine binding to the alpha1- and beta1-thyroid hormone receptor by amiodarone analogs. University of Amsterdam 11/10/07
12699376 Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. Karo Bio AB 11/10/07
17254783 Thyroid receptor ligands. Part 7: Indirect antagonists of the thyroid hormone receptor with improved affinity. Karo Bio AB 11/10/07
17543524 Thyroid receptor ligands. Part 8: Thyromimetics derived from N-acylated-alpha-amino acid derivatives displaying modulated pharmacological selectivity compared with KB-141. Karo Bio AB 11/10/07
17918822 Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators: Preliminary Structure-Activity Relationships. St. Jude Research Hospital 11/09/07
9651155 Pharmacophores incorporating numerous excluded volumes defined by X-ray crystallographic structure in three-dimensional database searching: application to the thyroid hormone receptor. Karo Bio AB 11/08/07
17174550 Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bristol-Myers Squibb Company 11/08/07
16303304 Thyroid receptor ligands. Part 4: 4'-amido bioisosteric ligands selective for the thyroid hormone receptor beta. Karo Bio AB 11/08/07
16451071 Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1). Duquesne University 11/05/07
16954316 Evaluation of the activities of pyrimethamine analogs against Plasmodium vivax and Plasmodium falciparum dihydrofolate reductase-thymidylate synthase using in vitro enzyme inhibition and bacterial complementation assays. National Center for Genetic Engineering and Biotechnology at Thailand 11/05/07
12704428 Insights into antifolate resistance from malarial DHFR-TS structures. Mahidol University 11/05/07
16279780 Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and a Duquesne University 11/05/07
17681466 Discovery and SAR study of novel dihydroquinoline-containing glucocorticoid receptor agonists. Boehringer Ingelheim Pharmaceuticals Inc. 11/04/07
17004711 Antibacterial agent discovery using thymidylate synthase biolibrary screening. UNIMORE 11/03/07
16204883 The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. University of California at San Francisco 11/01/07
16420057 (+)-(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3- yl]piperazine-1-carboxamide (YM580) as an orally potent and peripherally selective nonsteroidal androgen receptor antagonist. Astellas Pharma Inc. 10/28/07
9514878 Discovery of nonsteroidal androgens. University of Tennessee at Memphis 10/28/07
10691684 Chiral nonsteroidal affinity ligands for the androgen receptor. 1. Bicalutamide analogues bearing electrophilic groups in the B aromatic ring. University of Tennessee at Memphis 10/26/07
14761201 Design, synthesis, and biological characterization of metabolically stable selective androgen receptor modulators. University of Tennessee at Memphis 10/26/07
16386422 Discovery and SAR study of novel dihydroquinoline containing glucocorticoid receptor ligands. Boehringer Ingelheim Pharmaceuticals Inc. 10/25/07
17269758 Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysis. Dartmouth College 10/17/07
17827006 N(4)-Phenyl modifications of N(2)-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease. NIH 10/17/07
17267219 Novel selective androgen receptor modulators: SAR studies on 6-bisalkylamino-2-quinolinones. Ligand Pharmaceuticals Inc. 10/17/07
17705362 Synthesis and characterization of nonsteroidal glucocorticoid receptor modulators for multiple myeloma. Ligand Pharmaceuticals Inc. 10/17/07
17034117 Discovery of 6-N,N-bis(2,2,2-trifluoroethyl)amino- 4-trifluoromethylquinolin-2(1H)-one as a novel selective androgen receptor modulator. Ligand Pharmaceuticals Inc. 10/16/07
17257838 Discovery of an androgen receptor modulator pharmacophore based on 2-quinolinones. Ligand Pharmaceuticals Inc. 10/16/07
17764936 Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design. Pfizer 10/16/07
17005826 Structure-activity relationships of Bacillus cereus and Bacillus anthracis dihydrofolate reductase: toward the identification of new potent drug leads. University of Connecticut at Storrs 10/16/07
17887661 Substituted 6-(1-Pyrrolidine)quinolin-2(1H)-ones as Novel Selective Androgen Receptor Modulators. Ligand Pharmaceuticals Inc. 10/16/07
17670938 Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. NIH 10/16/07
16919960 Alpha-1-C-octyl-1-deoxynojirimycin as a pharmacological chaperone for Gaucher disease. Hokuriku University 10/08/07
17552508 Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. Duquesne University 10/08/07
17552509 Discovery of Potent and Muscle Selective Androgen Receptor Modulators through Scaffold Modifications. Bristol-Myers Squibb Pharmaceutical Research Institute 10/08/07
17560788 Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase. Pfizer 10/08/07
17201413 Isofagomine- and 2,5-anhydro-2,5-imino-D-glucitol-based glucocerebrosidase pharmacological chaperones for Gaucher disease intervention. The Scripps Research Institute 10/08/07
17824679 Novel 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamide Transition State Peptidomimetics Are Potent and Orally Active Inhibitors of Human Renin. Novartis Pharmaceuticals 10/08/07
17824680 Structural Modification of the P2' Position of 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: The Discovery of Aliskiren, a Potent Nonpeptide Human Renin Inhibitor Active after Once Daily Dosing in Marmosets. Novartis Pharmaceuticals 10/08/07
15974594 Design, synthesis, and antifolate activity of new analogues of piritrexim and other diaminopyrimidine dihydrofolate reductase inhibitors with omega-carboxyalkoxy or omega-carboxy-1-alkynyl substitution in the side chain. Harvard Medical School 10/07/07
17181141 Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold. Bristol-Myers Squibb Company 10/07/07
17439112 Novel series of potent, nonsteroidal, selective androgen receptor modulators based on 7H-[1,4]oxazino[3,2-g]quinolin-7-ones. Ligand Pharmaceuticals Inc. 10/07/07
12731874 Thermodynamic characterization of the binding of nucleotides to glycyl-tRNA synthetase. Medical College of Ohio 10/01/07
17125251 A 2.13 A structure of E. coli dihydrofolate reductase bound to a novel competitive inhibitor reveals a new binding surface involving the M20 loop region. University of Prince Edward Island 09/30/07
17696333 Crystal Structure of the Anthrax Drug Target, Bacillus anthracis Dihydrofolate Reductase. University of Tennessee at Knoxville 09/30/07
15561838 Functional cloning of Bacillus anthracis dihydrofolate reductase and confirmation of natural resistance to trimethoprim. Oklahoma State University at Stillwater 09/30/07
15895686 Glutamylsulfamoyladenosine and pyroglutamylsulfamoyladenosine are competitive inhibitors of E. coli glutamyl-tRNA synthetase. CREFSIP 09/30/07
14623005 Iclaprim, a novel diaminopyrimidine with potent activity on trimethoprim sensitive and resistant bacteria. GSK 09/30/07
782880 Influence of side-chain structure of aliphatic amino acids on binding to isoleucyl-tRNA synthetase from Escherichia coli MRE 600. Gesellschaft Fur Molekularbiolische Forschung mbH 09/30/07
11520201 X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor. GSK 09/30/07
11567092 Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. GSK 09/29/07
15837314 Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase. GSK 09/29/07
15582453 Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs. CREFSIP 09/29/07
17049867 Synthesis of beta-ketophosphonate analogs of glutamyl and glutaminyl adenylate, and selective inhibition of the corresponding bacterial aminoacyl-tRNA synthetases. CREFSIP 09/29/07
17113558 Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Pfizer 09/19/07
17482464 Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors. Pfizer 09/19/07
15755665 Discovery of novel non-peptidic ketopiperazine-based renin inhibitors. Pfizer 09/19/07
16480874 Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Pfizer 09/19/07
17574423 Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Pfizer 09/19/07
10903938 Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin. Novartis Pharmaceuticals 09/19/07
15582452 The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors. Pfizer 09/19/07
14998322 Crystal structures of Staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate. Morphochem AG 09/18/07
17444623 Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. Schering-Plough Research Institute 09/18/07
17114291 Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression. Johns Hopkins University 09/18/07
17120228 Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. The Procter & Gamble Pharmaceuticals 09/18/07
17194595 Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Daiichi Pharmaceutical 09/18/07
16377201 Synthesis, biological evaluation, and pharmacokinetic study of prolyl-1-piperazinylacetic acid and prolyl-4-piperidinylacetic acid derivatives as VLA-4 antagonists. Daiichi Pharmaceutical 09/18/07
12946343 The 1.15A crystal structure of the Staphylococcus aureus methionyl-aminopeptidase and complexes with triazole based inhibitors. Morphochem AG 09/18/07
17132624 Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors. Johnson & Johnson Pharmaceutical 09/11/07
17696416 Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. Amgen 09/11/07
17676829 Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors. GSK 09/11/07
15801825 Enantiospecificity of glutamate carboxypeptidase II inhibition. Guilford 09/11/07
17132625 Protein engineering of the colony-stimulating factor-1 receptor kinase domain for structural studies. Johnson & Johnson Pharmaceutical 09/11/07
16686531 Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain. MGI Pharma 09/11/07
17685503 2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (beta-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead. Johnson & Johnson Pharmaceutical 09/10/07
17696512 Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. University of Massachusetts Medical School 09/10/07
16884310 Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. Amgen 09/10/07
17276681 Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: synthesis, SAR, and pharmacokinetic properties. Amgen 09/09/07
17636946 Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore. GSK 09/01/07
17338508 Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. GSK 08/31/07
17567119 Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. NCI-FCRDC 08/31/07
17663538 Synthesis, Biological Activity, and Crystal Structure of Potent Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase That Retain Activity against Mutant Forms of the Enzyme. NCI-FCRDC 08/31/07
16134930 4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo. GSK 08/30/07
14996743 Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. The University of Birmingham 08/30/07
16632353 Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties. Abbott Laboratories 08/30/07
16789740 Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. Abbott Laboratories 08/30/07
14633714 Tumor suppression by a rationally designed reversible inhibitor of methionine aminopeptidase-2. Abbott Laboratories 08/30/07
17350258 Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids. Abbott Laboratories 08/29/07
12223444 A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity. CHUL 08/18/07
11027132 Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa. Berlex 08/18/07
11342132 Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Boehringer Ingelheim Pharma KG 08/18/07
17166832 Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase. CHUL 08/18/07
17227710 Substituted thiophene-anthranilamides as potent inhibitors of human factor Xa. Berlex 08/18/07
17350841 4-aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV. Merck Research Laboratories 08/17/07
12657282 Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Abbott Laboratories 08/17/07
17168540 Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Genentech 08/17/07
17336535 Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Princeton University 08/17/07
10417407 Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin. Berlex 08/16/07
17035017 2,6-Quinolinyl derivatives as potent VLA-4 antagonists. UCB 08/09/07
16455247 Pyridone derivatives as potent and selective VLA-4 integrin antagonists. GlaxoSmithKline 08/09/07
17570665 Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping. Vernalis (R&D) Ltd 08/08/07
16931004 Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists. GlaxoSmithKline 08/08/07
16495061 Selection of a 2-azabicyclo[2.2.2]octane-based alpha4beta1 integrin antagonist as an inhaled anti-asthmatic agent. Johnson & Johnson Pharmaceutical 08/08/07
12244092 Structural basis for Chk1 inhibition by UCN-01. GlaxoSmithKline 08/08/07
17536795 Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors(1). Berlex Biosciences 08/08/07
16750629 p38 MAP kinase inhibitors. Part 3: SAR on 3,4-dihydropyrimido[4,5-d]pyrimidin-2-ones and 3,4-dihydropyrido[4,3-d]pyrimidin-2-ones. Merck Research Laboratories 08/08/07
17531483 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Berlex Biosciences 08/02/07
17544272 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517. Berlex Biosciences 08/02/07
14962382 Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1. University of Dundee 08/02/07
15772071 Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. Berlex Biosciences 08/02/07
12892559 Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition. University of Dundee 08/02/07
16112583 Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists. Johnson & Johnson Pharmaceutical 08/01/07
16644221 Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers. Abbott Laboratories 08/01/07
16603355 Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity. Abbott Laboratories 08/01/07
17041919 Structure-activity relationship studies of a series of peptidomimetic ligands for alpha(4) beta(1) integrin on Jurkat T-leukemia cells. University of California Davis 08/01/07
16722660 Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists. Johnson & Johnson Pharmaceutical 08/01/07
17034121 Acylguanidines as small-molecule beta-secretase inhibitors. Wyeth Research 07/25/07
16690314 BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres. Merck Research Laboratories 07/25/07
17112725 Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites. Merck Research Laboratories 07/25/07
14695829 Design and synthesis of hydroxyethylene-based peptidomimetic inhibitors of human beta-secretase. Elan Pharmaceuticals 07/25/07
17258463 Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt. Abbott Laboratories 07/25/07
17257835 Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation. Merck Research Laboratories 07/25/07
17034118 Macrocyclic inhibitors of beta-secretase: functional activity in an animal model. Merck Research Laboratories 07/25/07
16821787 Naphthyl and coumarinyl biarylpiperazine derivatives as highly potent human beta-secretase inhibitors. Design, synthesis, and enzymatic BACE-1 and cell assays. Universite de la Mediterranee 07/25/07
11520194 Structure-based design: potent inhibitors of human brain memapsin 2 (beta-secretase). University of Illinois at Chicago 07/25/07
15466206 BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Bayer Pharmaceuticals Corporation 07/18/07
14971907 Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. Universita degli Studi di Firenze 07/18/07
16134934 Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex. IGBMC 07/18/07
16190759 A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one and congeners. Pfizer 07/17/07
16289938 Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification. Vernalis (R&D) Ltd 07/17/07
15734645 Structural basis for the highly selective inhibition of MMP-13. Aventis Pharma Deutschland GmbH 07/17/07
17523610 Syntheses of potent, selective, and orally bioavailable indazole-pyridine series of protein kinase b/akt inhibitors with reduced hypotension. Abbott Laboratories 07/17/07
16945533 p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design. Merck Research Laboratories 07/17/07
17107793 Evaluating scoring functions for docking and designing beta-secretase inhibitors. Merck Research Laboratories 07/10/07
16950396 Quantitative evaluation of each catalytic subsite of cathepsin B for inhibitory activity based on inhibitory activity-binding mode relationship of epoxysuccinyl inhibitors by X-ray crystal structure analyses of complexes. Osaka University of Pharmaceutical Sciences 07/03/07
16190753 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. Bristol-Myers Squibb Company 07/02/07
12773033 A highly selective, non-hydantoin, non-carboxylic acid inhibitor of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran- 2-sulfonyl)-2-H-pyridazin-3-one. Pfizer 07/02/07
15857120 Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. The Institute for Diabetes Discovery 07/02/07
16337231 High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. University of Marburg 07/02/07
16759861 Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Pfizer 07/02/07
15588077 Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1). Merck Research Laboratories 07/02/07
17451234 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. Astex 06/17/07
16620080 Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. Purdue University 06/10/07
17432843 Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. Purdue University 06/10/07
17163639 High affinity InhA inhibitors with activity against drug-resistant strains of Mycobacterium tuberculosis. SUNY Stony Brook 06/10/07
16451048 Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. Sunesis 06/09/07
9468142 Design of potent selective zinc-mediated serine protease inhibitors. Arris 06/09/07
17441705 Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. Takeda Pharmaceutical Company Ltd. 06/09/07
17418233 Evidence for a novel binding site conformer of aldose reductase in ligand-bound state. University of Marburg 06/09/07
15044733 Inhibitor binding in a class 2 dihydroorotate dehydrogenase causes variations in the membrane-associated N-terminal domain. University of Copenhagen 06/09/07
17368668 Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. University of Marburg 06/09/07
15582402 Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase). University of Illinois at Chicago 06/08/07
11196150 Characterization of the antitumor effects of the selective farnesyl protein transferase inhibitor R115777 in vivo and in vitro. Janssen Research Foundation 06/04/07
10926521 Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design. Max-Planck-Institut fuer Biochemie 06/04/07
17458947 De Novo Parallel Design, Synthesis and Evaluation of Inhibitors against the Reverse Transcriptase of Human Immunodeficiency Virus Type-1 and Drug-Resi Bar Ilan University 06/04/07
15916422 Protein farnesyltransferase inhibitors exhibit potent antimalarial activity. University of Washington at Seattle 06/04/07
16406782 Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. Cornell University 06/03/07
17447747 Selective Urokinase-Type Plasminogen Activator Inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines. Pfizer 06/03/07
16236496 The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. University of Leeds 06/03/07
17451235 Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B through Structure-Based Design. Astex 06/01/07
16246558 Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors. 4SC AG 05/31/07
16759099 Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. Abbott Laboratories 05/28/07
16263281 Conformationally biased P3 amide replacements of beta-secretase inhibitors. Merck Research Laboratories 05/28/07
17107797 Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Abbott Laboratories 05/28/07
17149856 Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1). Merck Research Laboratories 05/28/07
15566281 Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases. Merck Research Laboratories 05/28/07
16854060 Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). Universite de Montreal at Succursale Centre-Ville 05/28/07
16078837 Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. Universite de Montreal at Succursale Centre-Ville 05/28/07
12954329 The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Merck Research Laboratories 05/28/07
15261268 Factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of neutral P1 substituents. Aventis Pharma Deutschland GmbH 05/27/07
15261269 Novel factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of P4 substituents in combination with a neutral P1 ligand. Aventis Pharma Deutschland GmbH 05/27/07
16527482 Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Abbott Laboratories 05/27/07
16854050 Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors. Abbott Laboratories 05/24/07
17315856 Application of fragment screening by X-ray crystallography to beta-secretase. Astex 05/15/07
17337342 Affinity-based ranking of ligands for DPP-4 from mixtures. Merck Research Laboratories 05/14/07
17315857 Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. Astex 05/14/07
17300163 Design, synthesis, and crystal structure of hydroxyethyl secondary amine-based peptidomimetic inhibitors of human beta-secretase. Elan Pharmaceuticals 05/14/07
16509574 Discovery of S-[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]methanone (RO3201195), an orally bioavailable and highly selective inhibitor of p38 MAP kinase. Roche Palo Alto LLC 05/14/07
17300186 Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors. Vertex 05/14/07
16249081 Macrocyclic peptidomimetic inhibitors of beta-secretase (BACE): first X-ray structure of a macrocyclic peptidomimetic-BACE complex. Lilly S.A. 05/14/07
17256833 New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity. Universita di Roma La Sapienza 05/14/07
17291750 Optimization of 1,4-diazepan-2-one containing dipeptidyl peptidase IV inhibitors for the treatment of type 2 diabetes. Merck Research Laboratories 05/14/07
12749891 Potent, selective inhibitors of protein tyrosine phosphatase 1B. Abbott Laboratories 05/14/07
17034137 Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis. University of California at San Francisco 05/14/07
14561090 Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. Roche Palo Alto LLC 05/11/07
17276063 Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit. Abbott Laboratories 05/08/07
16213716 3-(5-Chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone. Vernalis (R&D) Ltd 05/07/07
15012994 Benzimidazolone p38 inhibitors. Pfizer 05/07/07
14592490 Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors. Merck Research Laboratories 05/07/07
15147193 Crystal structure of human phosphodiesterase 3B: atomic basis for substrate and inhibitor specificity. Merck Research Laboratories 05/07/07
17239592 Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site. Lilly Research Laboratories 05/07/07
16480261 Dual binding mode of a novel series of DHODH inhibitors. 4SC AG 05/07/07
15795226 High-throughput screening for potent and selective inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. University of Texas Southwestern Medical Center 05/07/07
16735511 Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development. University of North Carolina at Chapel Hill 05/07/07
15974572 Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. Vernalis (R&D) Ltd 05/07/07
17352464 Structure-based design, synthesis, and biological evaluation of potent and selective macrocyclic checkpoint kinase 1 inhibitors. Abbott Laboratories 05/07/07
16134941 Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase. Pfizer 05/07/07
17367123 Discovery and structure-activity relationships of piperidinone- and piperidine-constrained phenethylamines as novel, potent, and selective dipeptidyl peptidase IV inhibitors. Abbott Laboratories 05/04/07
15217611 Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms. Vernalis (R&D) Ltd 05/04/07
16202589 Structure-based discovery of a new class of Hsp90 inhibitors. Vernalis (R&D) Ltd 05/04/07
12897767 Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity. Merck Research Laboratories 05/01/07
9753691 Structural basis of inhibitor selectivity in MAP kinases. University of Texas Southwestern Medical Center at Dallas 05/01/07
11090628 Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine. MRC 05/01/07
17275837 A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimera. Astex 04/30/07
15664853 Allosteric Akt (PKB) inhibitors: discovery and SAR of isozyme selective inhibitors. Merck Research Laboratories 04/30/07
17343373 Carbonic anhydrase inhibitors: inhibition of isozymes I, II, and IX with triazole-linked O-glycosides of benzene sulfonamides. Griffith University 04/30/07
15686884 Discovery of 2,3,5-trisubstituted pyridine derivatives as potent Akt1 and Akt2 dual inhibitors. Merck Research Laboratories 04/30/07
16678413 Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase. Abbott Laboratories 04/30/07
16249095 Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. UK Centre for Cancer Therapeutics 04/30/07
16413780 Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Abbott Laboratories 04/30/07
15801821 Virtual docking approaches to protein kinase B inhibition. The Burnham Institute 04/30/07
16403626 Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Abbott Laboratories 04/26/07
17253679 Alkynylpyrimidine amide derivatives as potent, selective, and orally active inhibitors of Tie-2 kinase. Amgen 04/17/07
15996097 Biochemical and structural characterization of a novel class of inhibitors of the type 1 insulin-like growth factor and insulin receptor kinases. Merck Research Laboratories 04/17/07
17253678 Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor. Amgen 04/17/07
16413783 Factor VIIa inhibitors: gaining selectivity within the trypsin family. Celera 04/17/07
11896401 Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site. Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
16621549 Novel 5-azaindole factor VIIa inhibitors. Celera 04/17/07
17276055 Orally active 4-amino-5-diarylurea-furo[2,3-d]pyrimidine derivatives as anti-angiogenic agent inhibiting VEGFR2 and Tie-2. GlaxoSmithKline 04/17/07
14561087 Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796). Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
14561086 Thermal denaturation: a method to rank slow binding, high-affinity P38alpha MAP kinase inhibitors. Boehringer Ingelheim Pharmaceuticals Inc. 04/17/07
15857116 1-(5-Chloro-2-alkoxyphenyl)-3-(5-cyanopyrazin-2-yl)ureas [correction of cyanopyrazi] as potent and selective inhibitors of Chk1 kinase: synthesis, preliminary SAR, and biological activities. Abbott Laboratories 04/10/07
15055996 Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening. AstraZeneca 04/10/07
15084132 Carbonic anhydrase inhibitors. Design of selective, membrane-impermeant inhibitors targeting the human tumor-associated isozyme IX. Canadian Institutes of Health Research 04/09/07
17228859 Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors. Pfizer 04/09/07
16574416 Identification of chemically diverse Chk1 inhibitors by receptor-based virtual screening. Vernalis (R&D) Ltd 04/09/07
15576036 Structural basis for the activity of drugs that inhibit phosphodiesterases. Plexxikon 04/09/07
15974586 Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity. Vernalis (R&D) Ltd 04/09/07
15685167 A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Plexxikon 04/08/07
16517596 A novel protein geranylgeranyltransferase-I inhibitor with high potency, selectivity, and cellular activity. Duke University Medical Center 04/03/07
15632123 A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. Genentech 04/03/07
16446090 Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors. Abbott Laboratories 04/03/07
17228860 Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. University of Leeds 04/02/07
12954058 Design, parallel synthesis, and crystal structures of pyrazinone antithrombotics as selective inhibitors of the tissue factor VIIa complex. Pharmacia Corporation 04/02/07
14561089 Design, synthesis, and crystal structure of selective 2-pyridone tissue factor VIIa inhibitors. Pharmacia Corporation 04/02/07
14613321 Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. Aventis Pharma 04/02/07
16242328 Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors. Abbott Laboratories 04/02/07
13678408 Synthesis and crystal structures of substituted benzenes and benzoquinones as tissue factor VIIa inhibitors. Pharmacia Corporation 04/02/07
17154503 Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. Abbott Laboratories 03/27/07
9822558 (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5, 6]cyclohepta[1,2-b]- pyridin-11(R)-yl)-1-piperidinyl]-2-oxo-ethyl]-1-piperidinecarboxamid e (SCH-66336): a very potent farnesyl protein transferase inhibitor as a novel antitumor agent. Schering-Plough Research Institute 03/26/07
15715490 8-Substituted analogues of 3-(3-cyclopentyloxy-4-methoxy-benzyl)-8-isopropyl-adenine: highly potent and selective PDE4 inhibitors. Purdue Pharma LP 03/26/07
16759100 A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. Pfizer 03/26/07
15911281 Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity. Abbott Laboratories 03/26/07
15808463 Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors. Abbott Laboratories 03/26/07
15522303 Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). Celera 03/26/07
16539372 Enantiomer discrimination illustrated by the high resolution crystal structures of type 4 phosphodiesterase. University of North Carolina at Chapel Hill 03/26/07
17266195 Synthesis and mixed lineage kinase activity of pyrrolocarbazole and isoindolone analogs of (+)K-252a. Cephalon 03/13/07
16949284 The synthesis and SAR of 2-amino-pyrrolo[2,3-d]pyrimidines: a new class of Aurora-A kinase inhibitors. Johnson & Johnson Pharmaceutical 03/13/07
12742021 Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. Celera 03/12/07
16806920 Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48. Wyeth Research 03/12/07
16681368 Structure-guided design of peptide-based tryptase inhibitors. Celera 03/12/07
17097290 Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Incyte Corporation 03/11/07
16303309 Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Wyeth Research 03/11/07
10966741 Crystal structures of human factor Xa complexed with potent inhibitors. Aventis Pharma 03/06/07
17201404 Discovery of aminofurazan-azabenzimidazoles as inhibitors of Rho-kinase with high kinase selectivity and antihypertensive activity. GlaxoSmithKline 03/06/07
11731301 Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Axys Pharmaceutical 03/06/07
15771442 In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design. Johnson & Johnson Pharmaceutical 03/06/07
14695818 Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase. University of Queensland 03/06/07
10779411 Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Axys Pharmaceutical 03/06/07
17201405 Development of dihydropyridone indazole amides as selective rho-kinase inhibitors. GlaxoSmithKline 03/05/07
12036349 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. Merck Research Laboratories 02/27/07
12747781 Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. Abbott Laboratories 02/27/07
16699172 Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity. German Cancer Research Center 02/27/07
16249185 The structure of dimeric ROCK I reveals the mechanism for ligand selectivity. Vertex Pharmaceuticals 02/27/07
11292354 A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. Axys Pharmaceuticals Corporation 02/26/07
12670229 Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy. Abbott Laboratories 02/26/07
14592481 Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. Abbott Laboratories 02/25/07
15482920 Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors. Abbott Laboratories 02/25/07
1611188 A variant serum cholinesterase and a confirmed point mutation at Gly-365 to Arg found in a patient with liver cirrhosis. Hyogo College of Medicine 02/20/07
15379553 Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease. University of Florida College of Medicine 02/20/07
16634628 Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Johnson & Johnson Pharmaceutical 02/19/07
12061878 Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa. Aventis Pharma Deutschland GmbH 02/19/07
16277992 Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. Georgia State University 02/19/07
10387041 Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. University of Queensland 02/19/07
16913714 Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance. Purdue University 02/19/07
17110106 Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Abbott Laboratories 02/13/07
16460932 Discovery of novel heterocyclic factor VIIa inhibitors. Celera 02/13/07
17010607 Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors. Abbott Laboratories 02/13/07
17266194 2-(S)-phenethylaminothiazolones as potent, orally efficacious inhibitors of 11beta-hydroxysteriod dehydrogenase type 1. Amgen 02/12/07
16407290 Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. Merck Frosst Center for Therapeutic Research 02/12/07
16904316 New, potent P1/P2-morpholinone-based HIV-protease inhibitors. GlaxoSmithKline 02/12/07
15125936 Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Aventis Pharma Deutschland GmbH 02/12/07
15857135 Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions. Aventis Pharma Deutschland GmbH 02/12/07
16916797 Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics. Incyte Corporation 02/11/07
11341829 Small molecule peptidomimetics containing a novel phosphotyrosine bioisostere inhibit protein tyrosine phosphatase 1B and augment insulin action. Pharmacia Corporation 02/06/07
15664864 Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors. F. Hoffmann-La Roche Ltd. 02/05/07
16621574 Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity. F. Hoffmann-La Roche Ltd. 02/05/07
16046538 Inhibition of drug-resistant mutants of ABL, KIT, and EGF receptor kinases. Ambit, Inc. 02/05/07
17149883 Novel heterobivalent tacrine derivatives as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase. Rheinische Friedrich-Wilhelms-Universitat Bonn 02/05/07
16213138 Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors. F. Hoffmann-La Roche Ltd. 02/05/07
14516196 The structural basis for the selectivity of benzotriazole inhibitors of PTP1B. Merck Research Laboratories 02/05/07
14981513 VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo. Vertex Pharmaceuticals (Europe) Limited 02/05/07
17055272 (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Merck Research Laboratories 01/29/07
16386905 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors. Procter & Gamble Pharmaceuticals 01/29/07
14736242 Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors. Globe Pharmaceutical R and Abbott Laboratories 01/29/07
12767917 Inhibition of carbonic anhydrase II by steroidal and non-steroidal sulphamates. St. Maryamppound39s Hospital 01/29/07
17028182 Structural insights into the design of nonpeptidic isothiazolidinone-containing inhibitors of protein-tyrosine phosphatase 1B. Incyte Corporation 01/29/07
16539374 Synthesis, pharmacological evaluation, and molecular modeling studies of novel peptidic CAAX analogues as farnesyl-protein-transferase inhibitors. Universita di Napoli Federico II 01/29/07
16970397 Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. Yale University 01/23/07
17154512 2-aminothiazole as a novel kinase inhibitor template. Structure-activity relationship studies toward the discovery of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1- piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide (dasatinib, BMS-354825) as a potent pan-Src kinase i Bristol-Myers Squibb Company 01/22/07
17181177 Design, synthesis, and evaluation of a potent, cell-permeable, conformationally constrained second mitochondria derived activator of caspase (Smac) mimetic. University of Michigan 01/22/07
15317454 Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer. Abbott Laboratories 01/22/07
15658855 Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation. Astex 01/22/07
10479289 Sulfonamidopyrrolidinone factor Xa inhibitors: potency and selectivity enhancements via P-1 and P-4 optimization. Rhone-Poulenc Rorer 01/22/07
15664855 Non-peptidic small molecule inhibitors of XIAP. Abbott Laboratories 01/20/07
15293984 Structure-based design, synthesis, and evaluation of conformationally constrained mimetics of the second mitochondria-derived activator of caspase that target the X-linked inhibitor of apoptosis protein/caspase-9 interaction site. University of Michigan 01/20/07
17125255 Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue. Universite Montpellier II 01/15/07
15453828 Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent. University of Bath 01/15/07
16962773 Design, synthesis, and characterization of new embelin derivatives as potent inhibitors of X-linked inhibitor of apoptosis protein. University of Michigan 01/15/07
9258358 Discovery of CGS 27023A, a non-peptidic, potent, and orally active stromelysin inhibitor that blocks cartilage degradation in rabbits. Novartis Pharmaceuticals 01/15/07
15865431 First crystal structures of human carbonic anhydrase II in complex with dual aromatase-steroid sulfatase inhibitors. University of Bath 01/15/07
15664859 Structure-based design, synthesis and biochemical testing of novel and potent Smac peptido-mimetics. University of Michigan 01/15/07
12166932 Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. University of Marburg 01/15/07
14736236 Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. University of Marburg 01/15/07
17125279 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent aurora kinase inhibitor with a favorable antitumor kinase inhibition profile. Nerviano Medical Sciences 01/09/07
16942016 Comparison of the binding of 3-fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with their isosteric sulfonamides to the active site of phenylethanolamine N-methyltransferase. University of Kansas 01/09/07
16161994 Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3- [4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene- 2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor. Bayer HealthCare AG 01/09/07
17181170 Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. Wyeth Research 01/09/07
17181160 Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. Daiichi Asubio Medical Research Laboratories LLC (DAIAMED) 01/08/07
17064072 A novel class of carbonic anhydrase inhibitors: glycoconjugate benzene sulfonamides prepared by "click-tailing". Griffith University 01/07/07
15657054 Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. Vertex Pharmaceuticals 01/03/07
17149864 Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands. University of Massachusetts Medical School 01/02/07
16870435 Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa. Bristol-Myers Squibb Pharmaceutical Research Institute 01/02/07
15454208 SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa. Bristol-Myers Squibb Company 01/02/07
15582405 5-Amidinobenzo[b]thiophenes as dual inhibitors of factors IXa and Xa. Bristol-Myers Squibb Pharmaceutical Research Institute 01/01/07
15454209 5-Amidinoindoles as dual inhibitors of coagulation factors IXa and Xa. Bristol-Myers Squibb Company 01/01/07
16434195 Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bristol-Myers Squibb Pharmaceutical Research Institute 01/01/07
16730984 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bristol-Myers Squibb Pharmaceutical Research Institute 12/19/06
16480269 Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors. Astex 12/19/06
17064063 Discovery of ((4R,5S)-5-amino-4-(2,4,5- trifluorophenyl)cyclohex-1-enyl)-(3- (trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone (ABT-341), a highly potent, selective, orally efficacious, and safe dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Abbott Laboratories 12/19/06
15771420 Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. Bristol-Myers Squibb Pharmaceutical Research Institute 12/19/06
17034148 Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes. Abbott Laboratories 12/19/06
16963264 Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties. Bristol-Myers Squibb Pharmaceutical Research Institute 12/19/06
12593649 Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. Aventis Pharma 12/19/06
16682200 Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa. Bristol-Myers Squibb Company 12/19/06
17064073 Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. Hoffmann-La Roche Inc. 12/18/06
16536518 Enthalpy versus entropy-driven binding of bisphosphonates to farnesyl diphosphate synthase. University of Illinois at Urbana-Champaign 12/13/06
16697194 Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors. GlaxoSmithKline 12/12/06
16451065 Novel potent hepatitis C virus NS3 serine protease inhibitors derived from proline-based macrocycles. Schering-Plough Research Institute 12/12/06
16982190 Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs. GlaxoSmithKline 12/12/06
16982192 Arylsulfonamides: a study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors. GlaxoSmithKline 12/11/06
15999990 Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography. Aventis Pharma 12/11/06
16337122 SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. AstraZeneca 12/11/06
16506782 Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity. University of Pennsylvania 12/11/06
15771423 Fluoro-olefins as peptidomimetic inhibitors of dipeptidyl peptidases. University of Antwerp 12/10/06
17004721 Discovery of (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a selective, potent, orally bioavailable hepatitis C virus NS3 protease inhibitor Schering-Plough Research Institute 12/05/06
16979339 Synthesis and biological study of 4-aminopyrimidine-5-carboxaldehyde oximes as antiproliferative VEGFR-2 inhibitors. Johnson & Johnson Pharmaceutical 12/05/06
17125252 Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. Human BioMolecular Research Institute 12/05/06
17064066 N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. AstraZeneca 12/04/06
12694187 Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors. Uppsala University 12/04/06
15837308 Oximinoarylsulfonamides as potent HIV protease inhibitors. Abbott Laboratories 12/03/06
16978863 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6. Merck Research Laboratories 11/27/06
15771455 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties. Universita degli Studi di Firenze 11/27/06
16942020 Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity. University of Oxford 11/27/06
15664838 Novel isoindoline compounds for potent and selective inhibition of prolyl dipeptidase DPP8. National Health Research Institutes 11/27/06
16581245 Substituted pyrrolidine-2,4-dicarboxylic acid amides as potent dipeptidyl peptidase IV inhibitors. National Health Research Institutes 11/27/06
16290148 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: a new class of CDK2 inhibitors. Nerviano Medical Sciences 11/26/06
16616492 A practical synthesis of the major 3-hydroxy-2-pyrrolidinone metabolite of a potent CDK2/cyclin A inhibitor. Nerviano Medical Sciences 11/26/06
16451058 Structural Insight into the Stereoselective Inhibition of MMP-8 by Enantiomeric Sulfonamide Phosphonates. Istituto di Cristallografia 11/26/06
11738604 Structure-based design of nonpeptide inhibitors of interleukin-1beta converting enzyme (ICE, caspase-1). Pfizer 11/26/06
15887974 Synthesis and evaluation of new antimalarial phenylurenyl chalcone derivatives. Universidad Central de Venezuela 11/26/06
15828847 Potent and selective Aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition. Nerviano Medical Sciences 11/25/06
15537346 Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1. University of Oxford 11/24/06
11591522 Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide. Pfizer 11/24/06
16913712 Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. Montana State University 11/14/06
16870442 Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease. Hawaii Biotech Inc. 11/14/06
17064068 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. Palacky University 11/13/06
15837304 Dipeptidyl peptidase IV inhibitors derived from beta-aminoacylpiperidines bearing a fused thiazole, oxazole, isoxazole, or pyrazole. Merck Research Laboratories 11/13/06
11572683 Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II. University of Pennsylvania 11/13/06
14871097 Thermodynamics of binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the major urinary protein. University of Leeds 11/12/06
16445284 Global effects of the energetics of coenzyme binding: NADPH controls the protein interaction properties of human cytochrome P450 reductase. University of Leicester 11/07/06
16376077 Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1. Bristol-Myers Squibb Pharmaceutical Research Institute 11/07/06
9865942 Structural analysis of inhibitor binding to human carbonic anhydrase II. University of Pennsylvania 11/07/06
16220987 Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy. Pfizer 11/07/06
16046120 Diprolyl nitriles as potent dipeptidyl peptidase IV inhibitors. Bristol-Myers Squibb Pharmaceutical Research Institute 11/06/06
12217351 Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions. Universita degli Studi di Firenze 11/06/06
15634010 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants. Max-Planck-Institut fuer Biochemie 10/31/06
16392822 2-[3-[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethylamino]-3-methyl-1-oxobutyl]- 1,2,3,4-tetrahydroisoquinoline: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV. National Health Research Institutes 10/30/06
10732980 Protease inhibitors. Part 8: synthesis of potent Clostridium histolyticum collagenase inhibitors incorporating sulfonylated L-alanine hydroxamate moieties. Universita degli Studi di Firenze 10/30/06
14998327 Structure-based optimization of novel azepane derivatives as PKB inhibitors. Roche Diagnostics GmbH 10/30/06
16302800 Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase. Oxford University 10/29/06
16913695 Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug ganstigmine (CHF-2819). Istituto di Cristallografia 10/24/06
16134940 Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II. Istituto di Biostrutture e Bioimmagini-CNR 10/23/06
16768443 Crystal structures of DPP-IV (CD26) from rat kidney exhibit flexible accommodation of peptidase-selective inhibitors. Abbott Laboratories 10/23/06
16919457 Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors. Merck Research Laboratories 10/23/06
12747790 Carbonic anhydrase inhibitors. Inhibition of tumor-associated isozyme IX by halogenosulfanilamide and halogenophenylaminobenzolamide derivatives. University of Agricultural Sciences and Veterinary Medicine 10/22/06
15006388 Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents. Hoffmann-La Roche Inc. 10/17/06
16033281 Discovery and preclinical profile of Saxagliptin (BMS-477118): a highly potent, long-acting, orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bristol-Myers Squibb Pharmaceutical Research Institute 10/17/06
15163180 Sultam hydroxamates as novel matrix metalloproteinase inhibitors. Bristol-Myers Squibb Company 10/17/06
16376544 The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Santhera Pharmaceuticals 10/17/06
11020282 Carbonic anhydrase and matrix metalloproteinase inhibitors: sulfonylated amino acid hydroxamates with MMP inhibitory properties act as efficient inhibitors of CA isozymes I, II, and IV, and N-hydroxysulfonamides inhibit both these zinc enzymes. Universita degli Studi 10/15/06
15863311 Discovery of potent and selective phenylalanine based dipeptidyl peptidase IV inhibitors. Merck Research Laboratories 10/14/06
11170642 Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717. Lawrence Berkeley National Laboratory 10/10/06
16325401 Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Vernalis (R&D) Ltd 10/10/06
15686876 Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Vernalis (R&D) Ltd 10/03/06
10882008 2H-Thieno[3,2-e]- and [2,3-e]-1,2-thiazine-6-sulfonamide 1,1-dioxides as ocular hypotensive agents: synthesis, carbonic anhydrase inhibition and evaluation in the rabbit. Alcon Research, Ltd. 10/02/06
11831900 Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. University of Pennsylvania 10/02/06
12816539 Biochemical and three-dimensional-structural study of the specific inhibition of protein kinase CK2 by [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid (IQA). University of Padova 09/26/06
16759091 Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies. National Tsing Hua University 09/26/06
15974598 Discovery of potent anilide inhibitors against the severe acute respiratory syndrome 3CL protease. National Taiwan University 09/26/06
12419810 Inhibition of protein kinase CK2 by anthraquinone-related compounds. A structural insight. University of Padova 09/26/06
15994085 Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters. National Taiwan University 09/26/06
16913704 Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease. National Defense Medical Center 09/26/06
16332437 Discovery of potent, selective, and orally bioavailable pyridone-based dipeptidyl peptidase-4 inhibitors. Merck Research Laboratories 09/25/06
15908206 Discovery of potent and selective orally bioavailable beta-substituted phenylalanine derived dipeptidyl peptidase IV inhibitors. Merck Research Laboratories 09/24/06
16884309 Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor. TaiGen Biotechnology Co. 09/23/06
15710600 Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors. Emory University 09/19/06
16759103 (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Merck Research Laboratories 09/18/06
16942027 Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX. Istituto di Biostrutture e Bioimmagini-CNR 09/18/06
16759095 Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. Abbott Laboratories 09/18/06
16640335 Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX. University of Namur 09/18/06
15634008 (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: a potent, orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Merck Research Laboratories 09/17/06
16236500 Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Johnson & Johnson Pharmaceutical 09/17/06
12773032 3-(4-[[Benzyl(methyl)amino]methyl]phenyl)-6,7-dimethoxy-2H-2-chromenone (AP2238) inhibits both acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation: a dual function lead for Alzheimer's disease therapy. University of Bologna 09/12/06
12166941 Anticholinesterase activity of compounds related to geneserine tautomers. N-Oxides and 1,2-oxazines. National Institutes of Health 09/12/06
16366596 Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis. University of Pavia 09/12/06
15689148 Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors. Shanghai Institute of Materia Medica 09/12/06
16302824 Carbonic anhydrase inhibitors. The mitochondrial isozyme VB as a new target for sulfonamide and sulfamate inhibitors. Kochi Medical School 09/12/06
15537349 Design, synthesis, and biological evaluation of conformationally restricted rivastigmine analogues. University of Bologna 09/12/06
15027867 Inactivation of purified human recombinant monoamine oxidases A and B by rasagiline and its analogues. Emory University 09/12/06
11708910 Methyl analogues of the experimental Alzheimer drug phenserine: synthesis and structure/activity relationships for acetyl- and butyrylcholinesterase inhibitory action. National Institutes of Health 09/12/06
16279769 Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives. Universita degli Studi di Roma La Sapienza 09/12/06
9767635 Acetylcholinesterase inhibitors: synthesis and structure-activity relationships of omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)- methyl]aminoalkoxyheteroaryl derivatives. University of Bologna 09/05/06
16539401 Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs. Kochi Medical School 09/04/06
15985434 Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. Chinese Academy of Sciences 09/04/06
11052800 Synthesis and antiviral activity of 4-benzyl pyridinone derivatives as potent and selective non-nucleoside human immunodeficiency virus type 1 reverse transcriptase inhibitors. Institut Curie 09/03/06
16183021 Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. University of Dundee 08/30/06
15664516 Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases. University of Dundee 08/30/06
12431053 Novel dual inhibitors of AChE and MAO derived from hydroxy aminoindan and phenethylamine as potential treatment for Alzheimer's disease. Teva Pharmaceutical Industries 08/28/06
15026054 Meridianins, a new family of protein kinase inhibitors isolated from the ascidian Aplidium meridianum. CNRS 08/26/06
9632370 Syntheses and anticholinesterase activities of (3aS)-N1, N8-bisnorphenserine, (3aS)-N1,N8-bisnorphysostigmine, their antipodal isomers, and other potential metabolites of phenserine. University of North Carolina at Chapel Hill 08/22/06
11689067 Acetylcholinesterase inhibitors: SAR and kinetic studies on omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)methyl]aminoalkoxyaryl derivatives. University of Bologna 08/21/06
15974596 Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation. University of Bologna 08/21/06
14741294 Discovery of novel aspartyl ketone dipeptides as potent and selective caspase-3 inhibitors. Merck Frosst Canada & Co. 08/15/06
16570913 Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. National Institutes of Health 08/13/06
11888271 Kinetic and structural studies on the interaction of cholinesterases with the anti-Alzheimer drug rivastigmine. Weizmann Institute of Science 08/13/06
10891109 Docking-based development of purine-like inhibitors of cyclin-dependent kinase-2. Palacky University 08/12/06
15115390 Reducing the peptidyl features of caspase-3 inhibitors: a structural analysis. Merck Research Laboratories 08/12/06
16616489 Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors. Institut Curie 08/12/06
12196020 X-ray structures of Torpedo californica acetylcholinesterase complexed with (+)-huperzine A and (-)-huperzine B: structural evidence for an active site rearrangement. Weizmann Institute of Science 08/12/06
15771413 Synthesis and pharmacological evaluation of huprine-tacrine heterodimers: subnanomolar dual binding site acetylcholinesterase inhibitors. Universitat de Barcelona 08/08/06
16023344 Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors. Merck Frosst Canada & Co. 08/07/06
12798321 Nicotinyl aspartyl ketones as inhibitors of caspase-3. Merck Frosst Canada & Co. 08/07/06
16722663 Discovery of huperzine A-tacrine hybrids as potent inhibitors of human cholinesterases targeting their midgorge recognition sites. Universita di Siena 08/05/06
11563919 A structure-based design approach to the development of novel, reversible AChE inhibitors. Syngenta 08/01/06
12517147 Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity. Weizmann Institute of Science 08/01/06
10218828 Evaluation of short-tether bis-THA AChE inhibitors. A further test of the dual binding site hypothesis. Hong Kong University of Science and Technology 08/01/06
11425559 Novel and potent tacrine-related hetero- and homobivalent ligands for acetylcholinesterase and butyrylcholinesterase. Universita degli Studi di Siena 08/01/06
15658850 Rational approach to discover multipotent anti-Alzheimer drugs. University of Bologna 08/01/06
15563167 The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. Weizmann Institute of Science 08/01/06
10632067 Dual-site binding of bivalent 4-aminopyridine- and 4-aminoquinoline-based AChE inhibitors: contribution of the hydrophobic alkylene tether to monomer and dimer affinities. Hong Kong University of Science and Technology 07/31/06
8798583 Highly potent, selective, and low cost bis-tetrahydroaminacrine inhibitors of acetylcholinesterase. Steps toward novel drugs for treating Alzheimer's disease. Mayo Foundation for Medical Education and Research 07/31/06
9839013 Potent acetylcholinesterase inhibitors: design, synthesis, and structure-activity relationships of bis-interacting ligands in the galanthamine series. CNRS 07/31/06
16302804 N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. Washington University School of Medicine 07/25/06
15916416 Synthesis and structure-activity relationship of 4-substituted 2-(2-acetyloxyethyl)-8-(morpholine-4-sulfonyl)pyrrolo[3,4-c]quinoline-1,3-diones as potent caspase-3 inhibitors. Chemical Diversity Research Institute 07/25/06
15780618 1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors. Chemical Diversity Research Institute 07/18/06
16509578 Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. Shanghai Institutes for Biological Sciences 07/04/06
11384246 Potent and selective nonpeptide inhibitors of caspases 3 and 7. GlaxoSmithKline 07/04/06
15857150 Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT. Universita di Messina 06/29/06
15743206 Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach. Burnham Institute 06/29/06
14552750 Identification of potent and novel small-molecule inhibitors of caspase-3. Sunesis Pharmaceuticals 06/29/06
14741280 Novel nevirapine-like inhibitors with improved activity against NNRTI-resistant HIV: 8-heteroarylthiomethyldipyridodiazepinone derivatives. Boehringer Ingelheim (Canada) Ltd. 06/29/06
16644213 Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-acyl aromatic alpha-amino acids. Ambrilia Biopharma Inc. 06/28/06
12659774 Synthesis of potent oxindole CDK2 inhibitors. Hoffmann-La Roche Inc. 06/28/06
12852944 3,5,6-Trisubstituted naphthostyrils as CDK2 inhibitors. Hoffmann-La Roche Inc. 06/27/06
15012993 A new series of potent oxindole inhibitors of CDK2. Hoffmann-La Roche Inc. 06/27/06
10794700 1-imidazolyl(alkyl)-substituted di- and tetrahydroquinolines and analogues: syntheses and evaluation of dual inhibitors of thromboxane A(2) synthase and aromatase. Universitat des Saarlandes 06/20/06
11708928 Role of hydrophilic interaction in binding of hydroxylated 3-deoxy C(19) steroids to the active site of aromatase. Tohoku Pharmaceutical University 06/20/06
8576919 Structure-activity relationships of a new family of steroidal aromatase inhibitors. 1. Synthesis and evaluation of a series of analogs related to 19-[(methylthio)methyl]androstenedione (RU54115). Centre de Recherche de Roussel Uclaf 06/20/06
8667367 Synthesis and structure-activity relationships of 6-substituted androst-4-ene analogs as aromatase inhibitors. Tohoku College of Pharmacy 06/20/06
8676338 Time-dependent inactivation of aromatase by 6-alkylandrosta-1,4-diene-3,17-diones. Effects of length and configuration of 6-alkyl group. Tohoku College of Pharmacy 06/20/06
12852749 First dual aromatase-steroid sulfatase inhibitors. University of Bath 06/19/06
16451067 Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation. Cardiff University 06/19/06
16246562 Development and evaluation of a pharmacophore model for inhibitors of aldosterone synthase (CYP11B2). Saarland University 06/13/06
16279787 Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. University of Bologna 06/13/06
15911319 Synthesis and characterization of azole isoflavone inhibitors of aromatase. Ohio State University 06/13/06
15713418 Lysine derivatives as potent HIV protease inhibitors. Discovery, synthesis and structure-activity relationship studies. Pharmacor Inc 06/12/06
15225709 Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-disubstituted ureas. Procyon Biopharma Inc. 06/12/06
16387495 Depeptidization efforts on P3-P2' alpha-ketoamide inhibitors of HCV NS3-4A serine protease: effect on HCV replicon activity. Schering-Plough Research Institute 06/11/06
16112862 Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency. Schering-Plough Research Institute 06/11/06
16125392 Lead optimization of 7-benzyloxy 2-(4'-pyridylmethyl)thio isoflavone aromatase inhibitors. Ohio State University 06/11/06
14643311 Lysine sulfonamides as novel HIV-protease inhibitors: optimization of the Nepsilon-acyl-phenyl spacer. Pharmacor Inc 06/11/06
8709110 Bis tertiary amide inhibitors of the HIV-1 protease generated via protein structure-based iterative design. Agouron Pharmaceuticals, Inc. 06/06/06
16640336 Discovery of SCH446211 (SCH6): a new ketoamide inhibitor of the HCV NS3 serine protease and HCV subgenomic RNA replication. Schering-Plough Research Institute 06/06/06
16087332 Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency. Schering-Plough Research Institute 06/06/06
15501035 Novel 2-oxoimidazolidine-4-carboxylic acid derivatives as hepatitis C virus NS3-4A serine protease inhibitors: synthesis, activity, and X-ray crystal structure of an enzyme inhibitor complex. Schering-Plough Research Institute 06/06/06
16413182 Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Schering-Plough Research Institute 06/06/06
16420042 Potent 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid-based macrocyclic inhibitors of hepatitis C virus NS3 protease. Schering-Plough Research Institute 06/06/06
8568831 Potent human immunodeficiency virus type 1 protease inhibitors that utilize noncoded D-amino acids as P2/P3 ligands. Lilly Research Laboratories 06/06/06
14505679 1,2,5,6-tetra-O-benzyl-D-mannitol derivatives as novel HIV protease inhibitors. Pharmacor Inc 06/05/06
16460936 Inhibitors of VEGF receptors-1 and -2 based on the 2-((pyridin-4-yl)ethyl)pyridine template. Chemical Diversity, Inc 05/30/06
15615528 Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. University of Bari 05/29/06
16275072 N-(Aryl)-4-(azolylethyl)thiazole-5-carboxamides: novel potent inhibitors of VEGF receptors I and II. Chemical Diversity, Inc 05/29/06
15267241 Synthesis and aromatase inhibitory activity of novel pyridine-containing isoflavones. Ohio State University 05/29/06
10514292 Heterodimeric tacrine-based acetylcholinesterase inhibitors: investigating ligand-peripheral site interactions. Hong Kong University of Science and Technology 05/25/06
2754707 9-Amino-1,2,3,4-tetrahydroacridin-1-ols: synthesis and evaluation as potential Alzheimer's disease therapeutics. Hoechst-Roussel Pharmaceuticals, Inc. 05/24/06
2362265 Novel piperidine derivatives. Synthesis and anti-acetylcholinesterase activity of 1-benzyl-4-[2-(N-benzoylamino)ethyl]piperidine derivatives. Tsukuba Research Laboratories 05/24/06
8784449 Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas. DuPont Merck Pharmaceutical Company 05/23/06
8360874 Potent HIV protease inhibitors: the development of tetrahydrofuranylglycines as novel P2-ligands and pyrazine amides as P3-ligands. Merck Research Laboratories 05/23/06
12113826 Novel cyclourethane-derived HIV protease inhibitors: a ring-closing olefin metathesis based strategy. University of Illinois at Chicago 05/22/06
9871583 Potent HIV protease inhibitors incorporating high-affinity P2-ligands and (R)-(hydroxyethylamino)sulfonamide isostere. University of Illinois at Chicago 05/22/06
15887965 Structure-based design: synthesis and biological evaluation of a series of novel cycloamide-derived HIV-1 protease inhibitors. University of Illinois at Chicago 05/22/06
16480871 Design and synthesis of novel HIV-1 protease inhibitors incorporating oxyindoles as the P2'-ligands. Purdue University 05/21/06
14592500 Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Merck Research Laboratories 05/16/06
10866371 Novel inhibitors of HIV protease: design, synthesis and biological evaluation of picomolar inhibitors containing cyclic P1/P2 scaffolds. GlaxoSmithKline 05/16/06
12419377 Novel spirocyclic pyrrolidones as P2/P1 mimetics in potent inhibitors of HIV-1 protease. GlaxoSmithKline 05/16/06
15582415 Optimization of pyrrolidinone based HIV protease inhibitors. GlaxoSmithKline 05/16/06
15975788 Synthesis and antiviral activities of novel N-alkoxy-arylsulfonamide-based HIV protease inhibitors. GlaxoSmithKline 05/16/06
15482949 Discovery of potent pyrrolidone-based HIV-1 protease inhibitors with enhanced drug-like properties. GlaxoSmithKline 05/14/06
12852968 HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Merck Research Laboratories 05/14/06
12951118 HIV-1 protease inhibitors with picomolar potency against PI-resistant HIV-1 by modification of the P1' substituent. Merck Research Laboratories 05/14/06
15482948 Potent inhibitors of the HIV-1 protease incorporating cyclic urea P1-P2 scaffold. GlaxoSmithKline 05/14/06
12852969 The design, synthesis and evaluation of novel HIV-1 protease inhibitors with high potency against PI-resistant viral strains. Merck Research Laboratories 05/14/06
10732965 Acetylcholinesterase inhibitors for potential use in Alzheimer's disease: molecular modeling, synthesis and kinetic evaluation of 11H-indeno-[1,2-b]-quinolin-10-ylamine derivatives. University of Bologna 05/09/06
16203148 Orally bioavailable highly potent HIV protease inhibitors against PI-resistant virus. Merck Research Laboratories 05/09/06
16279781 Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease. Neuropharma 05/08/06
16230018 Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Neuropharma 05/08/06
12014965 Homodimeric tacrine congeners as acetylcholinesterase inhibitors. National Defense Medical Center 05/08/06
16420031 Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. Instituto de Quimica Medica (CSIC) 05/08/06
15324882 P1' oxadiazole protease inhibitors with excellent activity against native and protease inhibitor-resistant HIV-1. Merck Research Laboratories 05/07/06
15771436 Development of molecular probes for the identification of extra interaction sites in the mid-gorge and peripheral sites of butyrylcholinesterase (BuChE). Rational design of novel, selective, and highly potent BuChE inhibitors. Universita di Siena 05/02/06
10821713 SAR of 9-amino-1,2,3,4-tetrahydroacridine-based acetylcholinesterase inhibitors: synthesis, enzyme inhibitory activity, QSAR, and structure-based CoMFA of tacrine analogues. University of Bologna 05/02/06
15324879 Synthesis and evaluation of tacrine-E2020 hybrids as acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Shanghai Institute of Materia Medica 05/02/06
16220979 Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis. Saarland University 05/01/06
16570918 Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. Saarland University 05/01/06
15771425 Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. Saarland University 05/01/06
15202489 Synthesis of hydroxy derivatives of highly potent non-steroidal CYP 17 inhibitors as potential metabolites and evaluation of their activity by a non cellular assay using recombinant human enzyme. Saarland University 05/01/06
16162008 Thienopyrimidine ureas as novel and potent multitargeted receptor tyrosine kinase inhibitors. Abbott Laboratories 04/25/06
11527706 Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. GlaxoSmithKline 04/18/06
11514139 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI). GlaxoSmithKline 04/17/06
12109908 Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI). GlaxoSmithKline 04/17/06
12699381 Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. GlaxoSmithKline 04/17/06
12039591 Pyrazolo[3,4-d]pyrimidines containing an extended 3-substituent as potent inhibitors of Lck -- a selectivity insight. Abbott Bioresearch Center 04/16/06
15080992 Novel pyrazolopyrimidine derivatives as GSK-3 inhibitors. GlaxoSmithKline 04/10/06
15743198 Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. Saarland University 04/10/06
16386899 Guanidinylated 2,5-dideoxystreptamine derivatives as anthrax lethal factor inhibitors. Hawaii Biotech Inc. 04/06/06
15225695 4-Acylamino-6-arylfuro[2,3-d]pyrimidines: potent and selective glycogen synthase kinase-3 inhibitors. Tsukuba Research Laboratories 04/04/06
16298527 Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains. University of Pennsylvania 04/04/06
12031334 Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors. Novo Nordisk A/S 04/04/06
16460937 Synthesis and evaluation of novel heterocyclic inhibitors of GSK-3. GlaxoSmithKline 04/04/06
16392787 Anthrax lethal factor protease inhibitors: synthesis, SAR, and structure-based 3D QSAR studies. Burnham Institute 04/03/06
15983377 Efficient synthetic inhibitors of anthrax lethal factor. Burnham Institute for Medical Research 04/03/06
16338135 The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection. Merck Research Laboratories 04/03/06
12941332 6-aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3). GlaxoSmithKline 03/29/06
12941333 6-heteroaryl-pyrazolo[3,4-b]pyridines: potent and selective inhibitors of glycogen synthase kinase-3 (GSK-3). GlaxoSmithKline 03/29/06
12941317 Anilinopyrazole as selective CDK2 inhibitors: design, synthesis, biological evaluation, and X-ray crystallographic analysis. GlaxoSmithKline 03/29/06
11266159 3-Anilino-4-arylmaleimides: potent and selective inhibitors of glycogen synthase kinase-3 (GSK-3). SmithKline Beecham Pharmaceuticals 03/28/06
12699760 5-aryl-pyrazolo[3,4-b]pyridazines: potent inhibitors of glycogen synthase kinase-3 (GSK-3). GlaxoSmithKline 03/28/06
12699759 5-aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3). GlaxoSmithKline 03/28/06
11033082 Selective small molecule inhibitors of glycogen synthase kinase-3 modulate glycogen metabolism and gene transcription. SmithKline Beecham Pharmaceuticals 03/28/06
15341487 N-Phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amines as potent and selective inhibitors of glycogen synthase kinase 3 with good cellular efficacy. GlaxoSmithKline 03/21/06
16480273 Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M. Georgia State University 03/14/06
16220977 Hydroxyethylene sulfones as a new scaffold to address aspartic proteases: design, synthesis, and structural characterization. Philipps-Universitat Marburg 03/14/06
15027857 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. Cyclacel Limited 03/13/06
15261277 Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors. Cyclacel Limited 03/13/06
12857114 High-speed optimization of inhibitors of the malarial proteases plasmepsin I and II. Uppsala University 03/12/06
12593654 Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected cultured human erythrocytes. Uppsala University 03/06/06
15189032 Design and synthesis of potent inhibitors of the malaria aspartyl proteases plasmepsin I and II. Use of solid-phase synthesis to explore novel statine motifs. Linkoping University 03/06/06
14695825 Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity. Uppsala University 03/06/06
14522962 Identification of human glutaminyl cyclase as a metalloenzyme. Potent inhibition by imidazole derivatives and heterocyclic chelators. Probiodrug AG 02/28/06
16201766 Isolation, catalytic properties, and competitive inhibitors of the zinc-dependent murine glutaminyl cyclase. Probiodrug AG 02/28/06
16420052 The first potent inhibitors for human glutaminyl cyclase: synthesis and structure-activity relationship. Probiodrug AG 02/28/06
11881998 First non-ATP competitive glycogen synthase kinase 3 beta (GSK-3beta) inhibitors: thiadiazolidinones (TDZD) as potential drugs for the treatment of Alzheimer's disease. Instituto de Quimica Medica (CSIC) 02/27/06
16279768 SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Instituto de Quimica Medica (CSIC) 02/27/06
14561081 Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching. Instituto de Quimica Medica (CSIC) 02/27/06
11728181 Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. GlaxoSmithKline 02/21/06
12941311 Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 1: identification and optimisation of substituted 4,6-bis anilino pyrimidines. AstraZeneca 02/13/06
12941312 Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 2: identification and optimisation of substituted 2,4-bis anilino pyrimidines. AstraZeneca 02/13/06
15081017 Imidazo[1,2-a]pyridines. Part 2: SAR and optimisation of a potent and selective class of cyclin-dependent kinase inhibitors. AstraZeneca 02/13/06
12941325 Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation. AstraZeneca 02/13/06
15081018 Imidazo[1,2-b]pyridazines: a potent and selective class of cyclin-dependent kinase inhibitors. AstraZeneca 02/13/06
10969976 Cinnamaldehydes inhibit cyclin dependent kinase 4/cyclin D1. Korea Research Institute of Bioscience and Biotechnology 02/08/06
10753466 Cyclin-dependent kinase inhibition by new C-2 alkynylated purine derivatives and molecular structure of a CDK2-inhibitor complex. Institut Curie 02/08/06
11983514 Pyrazolo[3,4-b]quinoxalines. A new class of cyclin-dependent kinases inhibitors. Universidad de Navarra 02/07/06
11960485 Structure-based design and synthesis of 2-benzylidene-benzofuran-3-ones as flavopiridol mimics. Novartis Pharmaceuticals 02/07/06
10465404 Synthesis and in vitro evaluation of novel 2,6,9-trisubstituted purines acting as cyclin-dependent kinase inhibitors. Institut Curie 02/07/06
9871543 Synthesis of C2 alkynylated purines, a new family of potent inhibitors of cyclin-dependent kinases. Institut Curie 02/07/06
14698171 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Technische Universitat Braunschweig 02/06/06
16250643 Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases. Universidad San Pablo CEU 02/06/06
15689157 Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin. Lawrence Berkeley National Laboratory 01/31/06
15664865 Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes. Martin-Luther-University Halle-Wittenberg 01/30/06
14761195 Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases. University of Athens 01/29/06
12519061 Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. Faculte de Medecine et de Pharmacie 01/23/06
14695817 Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones. Universitat Hamburg 01/23/06
10998059 Paullones are potent inhibitors of glycogen synthase kinase-3beta and cyclin-dependent kinase 5/p25. CNRS 01/23/06
15830466 Synthesis and anticancer activity of new pyrrolocarbazoles and pyrrolo-beta-carbolines. CNRS 01/21/06
12749903 Novel pyrrolyllactone and pyrrolyllactam indolinones as potent cyclin-dependent kinase 2 inhibitors. SUGEN, Inc. 01/11/06
15189033 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. Pharmacia Italia 01/10/06
15828833 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 2. Lead optimization. Nerviano Medical Sciences 01/10/06
15713378 Benzodipyrazoles: a new class of potent CDK2 inhibitors. Nerviano Medical Sciences 01/10/06
9154969 Improved P1/P1' substituents for cyclic urea based HIV-1 protease inhibitors: synthesis, structure-activity relationship, and X-ray crystal structure analysis. DuPont Merck Pharmaceutical Company 01/09/06
8667359 Preparation and structure-activity relationship of novel P1/P1'-substituted cyclic urea-based human immunodeficiency virus type-1 protease inhibitors. DuPont Merck Pharmaceutical Company 01/09/06
9871711 The synthesis of symmetrical and unsymmetrical P1/P1' cyclic ureas as HIV protease inhibitors. DuPont Merck Pharmaceutical Company 01/09/06
11514172 Identification of selective inhibitors of cyclin dependent kinase 4. DuPont Pharmaceuticals Company 12/23/05
11311054 Indenopyrazoles as novel cyclin dependent kinase (CDK) inhibitors. DuPont Merck Pharmaceutical Company 12/23/05
15482910 Parallel synthesis of acylsemicarbazide libraries: preparation of potent cyclin dependent kinase (cdk) inhibitors. DuPont Pharmaceuticals Company 12/23/05
11354366 Quinazolines as cyclin dependent kinase inhibitors. DuPont Merck Pharmaceutical Company 12/23/05
15974571 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities. Johnson & Johnson Pharmaceutical 12/22/05
15837297 3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation. Johnson & Johnson Pharmaceutical 12/22/05
12747775 Synthesis, structure-activity relationship, and biological studies of indolocarbazoles as potent cyclin D1-CDK4 inhibitors. Lilly Research Laboratories 12/21/05
15149678 1,7-annulated indolocarbazoles as cyclin-dependent kinase inhibitors. Lilly Research Laboratories 12/13/05
12824014 Novel, potent and selective cyclin D1/CDK4 inhibitors: indolo[6,7-a]pyrrolo[3,4-c]carbazoles. Lilly Research Laboratories 12/13/05
15225699 Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors. Lilly Research Laboratories 12/13/05
14552792 Studies on cyclin-dependent kinase inhibitors: indolo-[2,3-a]pyrrolo[3,4-c]carbazoles versus bis-indolylmaleimides. DCR&T, Lilly Spain S.A. 12/13/05
15149644 Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors. Lilly Research Laboratories 12/13/05
15546737 Aminoimidazo[1,2-a]pyridines as a new structural class of cyclin-dependent kinase inhibitors. Part 1: Design, synthesis, and biological evaluation. Avenida de la Industria 12/08/05
15780638 Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases. Lilly Research Laboratories 12/08/05
11741480 A novel approach for the development of selective Cdk4 inhibitors: library design based on locations of Cdk4 specific amino acid residues. Banyu Tsukuba Research Institute 12/07/05
11855980 Bis(1H-2-indolyl)methanones as a novel class of inhibitors of the platelet-derived growth factor receptor kinase. University of Regensburg 12/07/05
11741479 Structure-based generation of a new class of potent Cdk4 inhibitors: new de novo design strategy and library design. Banyu Tsukuba Research Institute 12/07/05
10974196 Biochemical and cellular effects of c-Src kinase-selective pyrido[2, 3-d]pyrimidine tyrosine kinase inhibitors. Parke-Davis Pharmaceutical Research 11/16/05
16161995 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitriles as potent Src kinase inhibitors. Wyeth Research 11/15/05
15745832 Further studies on ethenyl and ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of a subnanomolar Src kinase inhibitor. Wyeth-Ayerst Research 11/15/05
11078204 Inhibitors of src tyrosine kinase: the preparation and structure-activity relationship of 4-anilino-3-cyanoquinolines and 4-anilinoquinazolines. Wyeth-Ayerst Research 11/15/05
12270190 Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors. Wyeth Research 11/15/05
15080999 Synthesis and inhibition of Src kinase activity by 7-ethenyl and 7-ethynyl-4-anilino-3-quinolinecarbonitriles. Wyeth Research 11/15/05
15615514 Identification of 7-phenylaminothieno- [3,2-b]pyridine-6-carbonitriles as a new class of Src kinase inhibitors. Wyeth Research 11/14/05
16125383 Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles. Wyeth Research 11/14/05
15771433 Synthesis and discovery of pyrazine-pyridine biheteroaryl as a novel series of potent vascular endothelial growth factor receptor-2 inhibitors. Johnson & Johnson Pharmaceutical 11/09/05
16033269 Synthesis and structure-activity relationships of pyrazine-pyridine biheteroaryls as novel, potent, and selective vascular endothelial growth factor receptor-2 inhibitors. Johnson & Johnson Pharmaceutical 11/09/05
15801830 Pyrido[2,3-d]pyrimidin-7-ones as specific inhibitors of cyclin-dependent kinase 4. Pfizer 11/03/05
15993068 2-Aminoquinazoline inhibitors of cyclin-dependent kinases. NAEJA Pharmaceutical Inc. 11/02/05
15801831 Discovery of a potent and selective inhibitor of cyclin-dependent kinase 4/6. Pfizer 10/27/05
11101352 Pyrido[2,3-d]pyrimidin-7-one inhibitors of cyclin-dependent kinases. Parke-Davis Pharmaceutical Research 10/20/05
14761189 Discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of c-Src. AstraZeneca 10/18/05
16000000 Synthesis and structure-activity relationships of soluble 7-substituted 3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amines and related ureas as dual inhibitors of the fibroblast growth factor receptor-1 and vascular endothelial growth factor receptor-2 tyrosine kinases. University of Auckland 10/07/05
12217371 8-Anilinoimidazo[4,5-g]quinoline-7-carbonitriles as Src kinase inhibitors. Wyeth-Ayerst Research 09/28/05
12113830 Inhibition of Src kinase activity by 4-anilino-7-thienyl-3-quinolinecarbonitriles. Wyeth Research 09/28/05
14552782 Investigation of the effect of varying the 4-anilino and 7-alkoxy groups of 3-quinolinecarbonitriles on the inhibition of Src kinase activity. Wyeth Research 09/28/05
15027848 7-Alkoxy-4-phenylamino-3-quinolinecar-bonitriles as dual inhibitors of Src and Abl kinases. Wyeth Research 09/27/05
15916442 Synthesis and Src kinase inhibitory activity of 2-phenyl- and 2-thienyl-7-phenylaminothieno[3,2-b]pyridine-6-carbonitriles. Wyeth Research 09/27/05
14698155 Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3. Bristol-Myers Squibb Company 09/27/05
15537345 Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of cyclin-dependent kinases. Bristol-Myers Squibb Company 09/26/05
15027863 N-(cycloalkylamino)acyl-2-aminothiazole inhibitors of cyclin-dependent kinase 2. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4- piperidinecarboxamide (BMS-387032), a highly efficacious and selective antitumor agent. Bristol-Myers Squibb Company 09/14/05
15357981 Isoindolinone ureas: a novel class of KDR kinase inhibitors. Abbott Laboratories 09/13/05
15743202 Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. GlaxoSmithKline 09/09/05
12643928 1H-Pyrazolo[3,4-b]pyridine inhibitors of cyclin-dependent kinases. Bristol-Myers Squibb Company 09/07/05
12824044 1H-Pyrazolo[3,4-b]pyridine inhibitors of cyclin-dependent kinases: highly potent 2,6-Difluorophenacyl analogues. Bristol-Myers Squibb Company 09/07/05
15990302 Discovery of a novel and potent series of dianilinopyrimidineurea and urea isostere inhibitors of VEGFR2 tyrosine kinase. GlaxoSmithKline 09/07/05
15837294 Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors. GlaxoSmithKline 09/07/05
12431050 Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. 2. Probing the indeno ring substituent pattern. Bristol-Myers Squibb Company 09/06/05
12190313 Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities. Bristol-Myers Squibb Pharmaceutical Research Institute 08/31/05
15125971 Synthesis and biological activity of N-aryl-2-aminothiazoles: potent pan inhibitors of cyclin-dependent kinases. Bristol-Myers Squibb Company 08/30/05
11063609 Thio- and oxoflavopiridols, cyclin-dependent kinase 1-selective inhibitors: synthesis and biological effects. Bristol-Myers Squibb Pharmaceutical Research Institute 08/30/05
12482427 4-Alkoxy-2,6-diaminopyrimidine derivatives: inhibitors of cyclin dependent kinases 1 and 2. University of Newcastle 08/23/05
10956187 Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles. University of Newcastle 08/23/05
12431051 Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. 3. Structure activity relationships at C3(1,2). Bristol-Myers Squibb Company 08/23/05
12941338 Structure-based design of 2-arylamino-4-cyclohexylmethyl-5-nitroso-6-aminopyrimidine inhibitors of cyclin-dependent kinases 1 and 2. University of Newcastle 08/22/05
15239650 N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. University of Newcastle 08/17/05
12139449 Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives. University of Newcastle 08/17/05
12639547 Discovery and biological evaluation of potent dual ErbB-2/EGFR tyrosine kinase inhibitors: 6-thiazolylquinazolines. GlaxoSmithKline 08/11/05
14684309 Synthesis and SAR of potent EGFR/erbB2 dual inhibitors. GlaxoSmithKline 08/11/05
12729639 2,4-disubstituted pyrimidines: a novel class of KDR kinase inhibitors. Merck Research Laboratories 08/10/05
12443771 Optimization of a pyrazolo[1,5-a]pyrimidine class of KDR kinase inhibitors: improvements in physical properties enhance cellular activity and pharmacokinetics. Merck Research Laboratories 08/10/05
12217372 Synthesis and initial SAR studies of 3,6-disubstituted pyrazolo[1,5-a]pyrimidines: a new class of KDR kinase inhibitors. Merck Research Laboratories 08/10/05
12852948 Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR. Merck Research Laboratories 08/09/05
15012992 Design and synthesis of 3,7-diarylimidazopyridines as inhibitors of the VEGF-receptor KDR. Merck Research Laboratories 08/09/05
12941314 Discovery and evaluation of 3-(5-thien-3-ylpyridin-3-yl)-1H-indoles as a novel class of KDR kinase inhibitors. Merck Research Laboratories 08/09/05
14698157 Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding. Merck Research Laboratories 08/09/05
15566305 Potent N-(1,3-thiazol-2-yl)pyridin-2-amine vascular endothelial growth factor receptor tyrosine kinase inhibitors with excellent pharmacokinetics and low affinity for the hERG ion channel. Merck Research Laboratories 08/09/05
15125964 The discovery of N-(1,3-thiazol-2-yl)pyridin-2-amines as potent inhibitors of KDR kinase. Merck Research Laboratories 08/09/05
10866394 Carbocyclic influenza neuraminidase inhibitors possessing a C3-cyclic amine side chain: synthesis and inhibitory activity. Gilead Sciences Inc. 07/28/05
10450950 Design of benzoic acid inhibitors of influenza neuraminidase containing a cyclic substitution for the N-acetyl grouping. University of Alabama at Birmingham 07/28/05
10632058 Hydrophobic benzoic acids as inhibitors of influenza neuraminidase. University of Alabama at Birmingham 07/28/05
10522696 Stereospecific synthesis of a GS 4104 metabolite: determination of absolute stereochemistry and influenza neuraminidase inhibitory activity. Gilead Sciences Inc. 07/28/05
10406636 Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors. Gilead Sciences Inc. 07/28/05
9873727 A new series of C3-aza carbocyclic influenza neuraminidase inhibitors: synthesis and inhibitory activity. Gilead Sciences Inc. 07/27/05
15943472 Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors. Abbott Laboratories 07/27/05
15519161 Studies of nonnucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Design and synthesis of thiazolidenebenzenesulfonamides. Yamanouchi Pharmaceutical Co. Ltd 07/19/05
8667360 Tyrphostins. 5. Potent inhibitors of platelet-derived growth factor receptor tyrosine kinase: structure-activity relationships in quinoxalines, quinolines, and indole tyrphostins. Hebrew University of Jerusalem 07/19/05
8960549 Tyrphostins. 6. Dimeric benzylidenemalononitrile tyrophostins: potent inhibitors of EGF receptor tyrosine kinase in vitro. Hebrew University of Jerusalem 07/19/05
12127526 Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185(erbB)) tyrosine kinases. SUGEN, Inc. 07/18/05
10514279 Discovery of potent and selective SH2 inhibitors of the tyrosine kinase ZAP-70. ARIAD Pharmaceuticals, Inc. 07/13/05
15670903 Studies of non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: synthesis and structure-activity relationships of 2-cyano and 2-hydroxy thiazolidenebenzenesulfonamide derivatives. Yamanouchi Pharmaceutical Co. Ltd 07/07/05
9526555 Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino-4H-pyran-6-carboxamides. Glaxo Wellcome Research and Development Limited 07/05/05
9651151 Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors. Gilead Sciences Inc. 07/05/05
11728184 Systematic structure-based design and stereoselective synthesis of novel multisubstituted cyclopentane derivatives with potent antiinfluenza activity. BioCryst Pharmaceuticals, Inc. 07/05/05
10602697 Design, synthesis, and evaluations of substituted 3-[(3- or 4-carboxyethylpyrrol-2-yl)methylidenyl]indolin-2-ones as inhibitors of VEGF, FGF, and PDGF receptor tyrosine kinases. SUGEN, Inc. 06/29/05
10893303 Identification of substituted 3-[(4,5,6, 7-tetrahydro-1H-indol-2-yl)methylene]-1,3-dihydroindol-2-ones as growth factor receptor inhibitors for VEGF-R2 (Flk-1/KDR), FGF-R1, and PDGF-Rbeta tyrosine kinases. SUGEN, Inc. 06/29/05
10882357 New anilinophthalazines as potent and orally well absorbed inhibitors of the VEGF receptor tyrosine kinases useful as antagonists of tumor-driven angiogenesis. Novartis Pharmaceuticals 06/10/05
12646019 Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase. SUGEN, Inc. 06/09/05
11462982 Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. University of Auckland 06/02/05
9406595 Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. BioCryst Pharmaceuticals, Inc. 06/01/05
15533054 Inhibition of wild-type and mutant human immunodeficiency virus type 1 proteases by GW0385 and other arylsulfonamides. GlaxoSmithKline 06/01/05
15013001 Novel arylsulfonamides possessing sub-picomolar HIV protease activities and potent anti-HIV activity against wild-type and drug-resistant viral strains. GlaxoSmithKline 06/01/05
15055992 Syntheses and neuraminidase inhibitory activity of multisubstituted cyclopentane amide derivatives. BioCryst Pharmaceuticals, Inc. 05/31/05
15755666 Synthesis and inhibitory activity of benzoic acid and pyridine derivatives on influenza neuraminidase. BioCryst Pharmaceuticals, Inc. 05/31/05
10639280 Design and structure-activity relationship of a new class of potent VEGF receptor tyrosine kinase inhibitors. AstraZeneca 05/24/05
11881999 Novel 4-anilinoquinazolines with C-7 basic side chains: design and structure activity relationship of a series of potent, orally active, VEGF receptor tyrosine kinase inhibitors. AstraZeneca 05/24/05
11495584 6-Substituted-4-(3-bromophenylamino)quinazolines as putative irreversible inhibitors of the epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor (HER-2) tyrosine kinases with enhanced antitumor activity. Wyeth-Ayerst Research 05/18/05
11063616 3-(3,5-Dimethoxyphenyl)-1,6-naphthyridine-2,7-diamines and related 2-urea derivatives are potent and selective inhibitors of the FGF receptor-1 tyrosine kinase. University of Auckland 05/17/05
10966743 4-Anilino-6,7-dialkoxyquinoline-3-carbonitrile inhibitors of epidermal growth factor receptor kinase and their bioisosteric relationship to the 4-anilino-6,7-dialkoxyquinazoline inhibitors. Wyeth-Ayerst Research 05/17/05
15653343 Cyclic sulfamide HIV-1 protease inhibitors, with sidechains spanning from P2/P2' to P1/P1'. Uppsala University 05/17/05
11689083 Optimization of 4-phenylamino-3-quinolinecarbonitriles as potent inhibitors of Src kinase activity. Wyeth-Ayerst Research 05/17/05
11262092 Synthesis and Src kinase inhibitory activity of a series of 4-phenylamino-3-quinolinecarbonitriles. Wyeth-Ayerst Research 05/17/05
8879541 Tyrphostins IV--highly potent inhibitors of EGF receptor kinase. Structure-activity relationship study of 4-anilidoquinazolines. Hebrew University of Jerusalem 05/11/05
2552117 Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors. Hebrew University of Jerusalem 05/10/05
1676428 Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. Hebrew University of Jerusalem 05/10/05
9629473 Structure-activity relationship of HIV-1 protease inhibitors containing AHPBA. Part III: Modification of P2 site. Sankyo Co. Ltd. 05/04/05
8879560 Structure-activity relationships of HIV-1 PR inhibitors containing AHPBA--II. Modification of pyrrolidine ring at P1' proline. Sankyo Co. Ltd. 05/04/05
10956222 Synthesis and structure-activity relationships of 7-substituted 3-(2, 6-dichlorophenyl)-1,6-naphthyridin-2(1H)-ones as selective inhibitors of pp60(c-src). University of Auckland 05/02/05
10530956 Structure-activity relationship of HIV-1 protease inhibitors containing alpha-hydroxy-beta-amino acids. Detailed study of P1 site. Sankyo Co. Ltd. 04/29/05
7518523 Identification of tricyclic analogs related to ellagic acid as potent/selective tyrosine protein kinase inhibitors. Pfizer 04/28/05
9784112 Synthesis and tyrosine kinase inhibitory activity of a series of 2-amino-8H-pyrido[2,3-d]pyrimidines: identification of potent, selective platelet-derived growth factor receptor tyrosine kinase inhibitors. Parke-Davis Pharmaceutical Research 04/28/05
8355247 Tyrosine kinase inhibitors. 1. Structure-activity relationships for inhibition of epidermal growth factor receptor tyrosine kinase activity by 2,3-dihydro-2-thioxo-1H-indole-3-alkanoic acids and 2,2'-dithiobis(1H-indole-3-alkanoic acids). University of Auckland 04/21/05
7510340 Tyrosine kinase inhibitors. 2. Synthesis of 2,2'-dithiobis(1H-indole-3-alkanamides) and investigation of their inhibitory activity against epidermal growth factor receptor and pp60v-src protein tyrosine kinases. University of Auckland 04/21/05
8027985 Tyrosine kinase inhibitors. 3. Structure-activity relationships for inhibition of protein tyrosine kinases by nuclear-substituted derivatives of 2,2'-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide). University of Auckland 04/20/05
10395478 Structure-activity relationships for 5-substituted 1-phenylbenzimidazoles as selective inhibitors of the platelet-derived growth factor receptor. University of Auckland 04/19/05
7769699 A central region in the hepatitis C virus NS4A protein allows formation of an active NS3-NS4A serine proteinase complex in vivo and in vitro. Washington University School of Medicine 04/13/05
15239657 Novel azapeptide inhibitors of hepatitis C virus serine protease. Boehringer Ingelheim (Canada) Ltd. 04/13/05
15491144 Role of inhibitor aliphatic chain in the thermodynamics of inhibitor binding to Escherichia coli enoyl-ACP reductase and the Phe203Leu mutant: a proposed mechanism for drug resistance. University of Alabama at Birmingham 04/13/05
9876115 Structure-activity relationships for 1-phenylbenzimidazoles as selective ATP site inhibitors of the platelet-derived growth factor receptor. University of Auckland 04/08/05
9191958 Tyrosine kinase inhibitors. 12. Synthesis and structure-activity relationships for 6-substituted 4-(phenylamino)pyrimido[5,4-d]pyrimidines designed as inhibitors of the epidermal growth factor receptor. University of Auckland 03/14/05
9513602 Tyrosine kinase inhibitors. 14. Structure-activity relationships for methylamino-substituted derivatives of 4-[(3-bromophenyl)amino]-6-(methylamino)-pyrido[3,4-d]pyrimidine (PD 158780), a potent and specific inhibitor of the tyrosine kinase activity of receptors for the EGF family of growth factors. University of Auckland 03/14/05
10639288 Tyrosine kinase inhibitors. 16. 6,5,6-tricyclic benzothieno[3, 2-d]pyrimidines and pyrimido[5,4-b-] and -[4,5-b]indoles as potent inhibitors of the epidermal growth factor receptor tyrosine kinase. Parke-Davis Pharmaceutical Research 03/14/05
8632415 Tyrosine kinase inhibitors. 9. Synthesis and evaluation of fused tricyclic quinazoline analogues as ATP site inhibitors of the tyrosine kinase activity of the epidermal growth factor receptor. University of Auckland 03/09/05
9154973 Tyrosine kinase inhibitors. 11. Soluble analogues of pyrrolo- and pyrazoloquinazolines as epidermal growth factor receptor inhibitors: synthesis, biological evaluation, and modeling of the mode of binding. University of Auckland 03/08/05
9397172 Tyrosine kinase inhibitors. 13. Structure-activity relationships for soluble 7-substituted 4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidines designed as inhibitors of the tyrosine kinase activity of the epidermal growth factor receptor. University of Auckland 03/08/05
11384237 Soluble 2-substituted aminopyrido[2,3-d]pyrimidin-7-yl ureas. Structure-activity relationships against selected tyrosine kinases and exploration of in vitro and in vivo anticancer activity. Pfizer 03/03/05
7724556 Protein structure-based design of potent orally bioavailable, nonpeptide inhibitors of human immunodeficiency virus protease. Agouron Pharmaceuticals, Inc. 02/26/05
8709109 Structure-based design and synthesis of substituted 2-butanols as nonpeptidic inhibitors of HIV protease: secondary amide series. Agouron Pharmaceuticals, Inc. 02/25/05
7504733 Synthesis and anti-HIV-1 activity of a series of imidazo[1,5-b]pyridazines. Glaxo Group Research Ltd. 02/24/05
9046331 Tyrosine kinase inhibitors. 6. Structure-activity relationships among N- and 3-substituted 2,2'-diselenobis(1H-indoles) for inhibition of protein tyrosine kinases and comparative in vitro and in vivo studies against selected sulfur congeners. Parke-Davis Pharmaceutical Research 02/22/05
7658435 Tyrosine kinase inhibitors. 5. Synthesis and structure-activity relationships for 4-[(phenylmethyl)amino]- and 4-(phenylamino)quinazolines as potent adenosine 5'-triphosphate binding site inhibitors of the tyrosine kinase domain of the epidermal growth factor receptor. University of Auckland 02/21/05
7562908 Tyrosine kinase inhibitors. 7. 7-Amino-4-(phenylamino)- and 7-amino-4-[(phenylmethyl)amino]pyrido[4,3-d]pyrimidines: a new class of inhibitors of the tyrosine kinase activity of the epidermal growth factor receptor. University of Auckland 02/21/05
12036372 Synthesis and protein kinase inhibitory activity of balanol analogues with modified benzophenone subunits. Sphinx Laboratories 02/07/05
8978850 Synthesis and protein kinase C inhibitory activities of acyclic balanol analogs that are highly selective for protein kinase C over protein kinase A. Sphinx Laboratories 02/02/05
1552513 Inhibitors of protein kinase C. 2. Substituted bisindolylmaleimides with improved potency and selectivity. Roche Products Limited 01/25/05
7520079 Synthesis of a series of 4-(arylethynyl)-6-chloro-4-cyclopropyl-3,4-dihydroquinazolin-2(1H)-ones as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. Merck Research Laboratories 01/24/05
9703473 2-Substituted aminopyrido[2,3-d]pyrimidin-7(8H)-ones. structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity. Parke-Davis Pharmaceutical Research 01/18/05
9357527 Use of a pharmacophore model for the design of EGF-R tyrosine kinase inhibitors: 4-(phenylamino)pyrazolo[3,4-d]pyrimidines. Novartis Pharmaceuticals 01/11/05
10821714 Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors. DuPont Pharmaceuticals Company 01/04/05
10522695 Synthesis and evaluation of analogs of Efavirenz (SUSTIVA) as HIV-1 reverse transcriptase inhibitors. DuPont Pharmaceuticals Company 01/04/05
11459666 Synthesis and evaluation of novel quinolinones as HIV-1 reverse transcriptase inhibitors. DuPont Pharmaceuticals Company 01/04/05
10937734 Synthesis and evaluation of quinoxalinones as HIV-1 reverse transcriptase inhibitors. DuPont Pharmaceuticals Company 01/04/05
10698450 Bioisosteric modification of PETT-HIV-1 RT-inhibitors: synthesis and biological evaluation. Medivir AB 01/03/05
10579849 Novel modifications in the alkenyldiarylmethane (ADAM) series of non-nucleoside reverse transcriptase inhibitors. Purdue University 01/03/05
12057671 Synthesis of substituted diarylmethylenepiperidines (DAMPs), a novel class of anti-HIV agents. Purdue University 01/03/05
9622549 New alkenyldiarylmethanes with enhanced potencies as anti-HIV agents which act as non-nucleoside reverse transcriptase inhibitors. Purdue University 12/29/04
11741777 Synthesis of alkenyldiarylmethane (ADAM) non-nucleoside HIV-1 reverse transcriptase inhibitors with non-identical aromatic rings. Purdue University 12/29/04
11708913 The biological effects of structural variation at the meta position of the aromatic rings and at the end of the alkenyl chain in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors. Purdue University 12/29/04
10514285 Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. Medivir AB 12/28/04
8421286 Inhibitors of protein kinase C. 3. Potent and highly selective bisindolylmaleimides by conformational restriction. Roche Products Limited 12/27/04
1874734 The bisindolylmaleimide GF 109203X is a potent and selective inhibitor of protein kinase C. Laboratoires Glaxo 12/27/04
8809165 Targeting delavirdine/atevirdine resistant HIV-1: identification of (alkylamino)piperidine-containing bis(heteroaryl)piperazines as broad spectrum HIV-1 reverse transcriptase inhibitors. Upjohn 12/16/04
1732526 Inhibitors of protein kinase C. 1. 2,3-Bisarylmaleimides. Roche Products Limited 12/15/04
8894098 Discovery and optimization of nonpeptide HIV-1 protease inhibitors. Parke-Davis Pharmaceutical Research 12/09/04
10465549 Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing a novel and achiral 3-(2-t-butyl-5-methyl-4-sulfamate)phenylthio moiety. Parke-Davis Pharmaceutical Research 12/09/04
7699705 Nonpeptidic potent HIV-1 protease inhibitors: (4-hydroxy-6-phenyl-2-oxo-2H- pyran-3-yl)thiomethanes that span P1-P2' subsites in a unique mode of active site binding. Parke-Davis Pharmaceutical Research 12/08/04
9371233 Synthesis of 5,6-dihydro-4-hydroxy-2-pyrones as HIV-1 protease inhibitors: the profound effect of polarity on antiviral activity. Parke-Davis Pharmaceutical Research 12/08/04
14761194 Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant. Universita degli Studi di Roma La Sapienza 12/07/04
7684215 Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase. NCI-FCRDC 12/06/04
12773052 Novel indolyl aryl sulfones active against HIV-1 carrying NNRTI resistance mutations: synthesis and SAR studies. Universita degli Studi di Roma La Sapienza 12/06/04
7650679 Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines. Universita di Roma La Sapienza 12/01/04
10698447 1-[2-(Diphenylmethoxy)ethyl]-2-methyl-5-nitroimidazole: a potent lead for the design of novel NNRTIs. Universita degli Studi di Roma La Sapienza 11/29/04
9154967 Dihydro(alkylthio)(naphthylmethyl)oxopyrimidines: novel non-nucleoside reverse transcriptase inhibitors of the S-DABO series. Universita di Roma La Sapienza 11/29/04
11931611 Synthesis, biological evaluation, and binding mode of novel 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles targeted at the HIV-1 reverse transcriptase. Universita degli Studi di Roma La Sapienza 11/29/04
7678654 Synthesis and evaluation of 2-pyridinone derivatives as specific HIV-1 reverse transcriptase inhibitors. 3. Pyridyl and phenyl analogs of 3-aminopyridin-2(1H)-one. Merck Research Laboratories 11/28/04
10794705 Structure-based design, synthesis, and biological evaluation of novel pyrrolyl aryl sulfones: HIV-1 non-nucleoside reverse transcriptase inhibitors active at nanomolar concentrations. Universita degli Studi di Roma La Sapienza 11/24/04
10052969 5-Alkyl-2-(alkylthio)-6-(2,6-dihalophenylmethyl)-3, 4-dihydropyrimidin-4(3H)-ones: novel potent and selective dihydro-alkoxy-benzyl-oxopyrimidine derivatives. Universita degli Studi di Roma La Sapienza 11/23/04
8558522 2-Sulfonyl-4-chloroanilino moiety: a potent pharmacophore for the anti-human immunodeficiency virus type 1 activity of pyrrolyl aryl sulfones. Universita di Roma 11/22/04
11472208 Structure-based design, synthesis, and biological evaluation of conformationally restricted novel 2-alkylthio-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Universita degli Studi di Roma La Sapienza 11/22/04
8818233 5H-pyrrolo[1,2-b] [1,2,5]benzothiadiazepines (PBTDs): a novel class of non-nucleoside reverse transcriptase inhibitors. Universita di Roma La Sapienza 11/21/04
10715167 Novel 1,5-diphenylpyrazole nonnucleoside HIV-1 reverse transcriptase inhibitors with enhanced activity versus the delavirdine-resistant P236L mutant: lead identification and SAR of 3- and 4-substituted derivatives. Upjohn 11/18/04
7683725 5-chloro-3-(phenylsulfonyl)indole-2-carboxamide: a novel, non-nucleoside inhibitor of HIV-1 reverse transcriptase. Merck Research Laboratories 11/17/04
7684450 Bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure-activity relationships of novel substituted indole analogues and the identification of 1-[(5-methanesulfonamido-1H-indol-2-yl)-carbonyl]-4-[3- [(1-methylethyl)amino]-pyridinyl]piperazine monomethanesulfonate (U-90152S), a Upjohn 11/17/04
7683054 Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 4. 3-[2-(Benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one and analogues. Merck Research Laboratories 11/16/04
1716683 2-Pyridinone derivatives: a new class of nonnucleoside, HIV-1-specific reverse transcriptase inhibitors. Merck Sharp and Dohme Research Laboratories 11/11/04
10658583 Nonpeptidic HIV protease inhibitors possessing excellent antiviral activities and therapeutic indices. PD 178390: a lead HIV protease inhibitor. Parke-Davis Pharmaceutical Research 11/10/04
8863804 Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs. Lilly Research Laboratories 11/08/04
9685235 Novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 7. 8-Arylethyldipyridodiazepinones as potent broad-spectrum inhibitors of wild-type and mutant enzymes. Boehringer Ingelheim Pharmaceuticals Inc. 11/04/04
9685236 Novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 8. 8-Aryloxymethyl- and 8-arylthiomethyldipyridodiazepinones. Boehringer Ingelheim Pharmaceuticals Inc. 11/02/04
11378361 4,1-Benzoxazepinone analogues of efavirenz (Sustiva) as HIV-1 reverse transcriptase inhibitors. DuPont Pharmaceuticals Company 10/28/04
9240358 Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. 6. 2-Indol-3-yl- and 2-azaindol-3-yl-dipyridodiazepinones. Boehringer Ingelheim Pharmaceuticals Inc. 10/28/04
10576692 Synthesis and evaluation of benzoxazinones as HIV-1 reverse transcriptase inhibitors. Analogs of Efavirenz (SUSTIVA). DuPont Pharmaceuticals Company 10/28/04
1375293 Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 2. Tricyclic pyridobenzoxazepinones and dibenzoxazepinones. Boehringer Ingelheim Pharmaceuticals Inc. 10/27/04
7658450 Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors. Upjohn 10/26/04
8523406 Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relationship studies of PETT analogs. Lilly Research Laboratories 10/25/04
9371244 4-hydroxy-5,6-dihydropyrones. 2. Potent non-peptide inhibitors of HIV protease. Parke-Davis Pharmaceutical Research 10/21/04
11384233 2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. GlaxoSmithKline 10/20/04
9554878 Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies. The DuPont Merck Pharmaceutical Company 10/19/04
9836627 Stereoisomers of cyclic urea HIV-1 protease inhibitors: synthesis and binding affinities. DuPont Merck Pharmaceutical Company 10/19/04
1712395 Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 1. Tricyclic pyridobenzo- and dipyridodiazepinones. Boehringer Ingelheim Pharmaceuticals Inc. 10/14/04
7490733 Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. 5. 4-Substituted and 2,4-disubstituted analogs of nevirapine. Boehringer Ingelheim Pharmaceuticals Inc. 10/13/04
7490732 Novel non-nucleoside inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. 4. 2-Substituted dipyridodiazepinones as potent inhibitors of both wild-type and cysteine-181 HIV-1 reverse transcriptase enzymes. Boehringer Ingelheim Pharmaceuticals Inc. 10/12/04
9089336 Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones. Upjohn 10/04/04
7689109 Selective non-nucleoside HIV-1 reverse transcriptase inhibitors. New 2,3-dihydrothiazolo[2,3-a]isoindol-5(9bH)-ones and related compounds with anti-HIV-1 activity. Boehringer Mannheim GmbH 10/01/04
1279173 Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 2. Analogues of 3-aminopyridin-2(1H)-one. Merck Research Laboratories 09/29/04
1910089 Design and synthesis of HIV protease inhibitors. Variations of the carboxy terminus of the HIV protease inhibitor L-682,679. Merck Sharp and Dohme Research Laboratories 09/28/04
9216835 Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. Boehringer Ingelheim (Canada) Ltd. 09/28/04
8642565 Inhibitors of human immunodeficiency virus type 1 protease containing 2-aminobenzyl-substituted 4-amino-3-hydroxy-5-phenylpentanoic acid: synthesis, activity, and oral bioavailability. Sandoz Research Institute 09/27/04
9083477 Cyclic HIV-1 protease inhibitors derived from mannitol: synthesis, inhibitory potencies, and computational predictions of binding affinities. Uppsala University 09/23/04
8691434 Structure-based design of novel HIV protease inhibitors: sulfonamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent non-peptidic inhibitors. Upjohn 09/23/04
9888839 Stereospecific synthesis, structure-activity relationship, and oral bioavailability of tetrahydropyrimidin-2-one HIV protease inhibitors. DuPont Pharmaceuticals Company 09/22/04
9171880 Design, synthesis, and evaluation of tetrahydropyrimidinones as an example of a general approach to nonpeptide HIV protease inhibitors. DuPont Merck Pharmaceutical Company 09/21/04
1279172 Synthesis and evaluation of 2-pyridinone derivatives as HIV-1 specific reverse transcriptase inhibitors. 1. Phthalimidoalkyl and -alkylamino analogues. Merck Research Laboratories 09/20/04
1588552 HIV-1 protease inhibitors based on hydroxyethylene dipeptide isosteres: an investigation into the role of the P1' side chain on structure-activity. Merck Research Laboratories 09/13/04
9719600 Tipranavir (PNU-140690): a potent, orally bioavailable nonpeptidic HIV protease inhibitor of the 5,6-dihydro-4-hydroxy-2-pyrone sulfonamide class. Upjohn 09/10/04
8064795 A novel nonpeptide HIV-1 protease inhibitor: elucidation of the binding mode and its application in the design of related analogs. Parke-Davis Pharmaceutical Research 08/23/04
7932531 Inhibitors of HIV-1 proteinase containing 2-heterosubstituted 4-amino-3-hydroxy-5-phenylpentanoic acid: synthesis, enzyme inhibition, and antiviral activity. SANDOZ Forschungsinstitut Ges.m.b.H. 07/09/04
8021916 Aminodiol HIV protease inhibitors. 1. Design, synthesis, and preliminary SAR. Bristol-Myers Squibb Company 07/08/04
8057276 Crystal-structure-based design and synthesis of novel C-terminal inhibitors of HIV protease. Agouron Pharmaceuticals, Inc. 07/08/04
8295206 Design and synthesis of peptidomimetic inhibitors of HIV-1 protease and renin. Evidence for improved transport. University of Pennsylvania 07/08/04
1588551 Synthesis and antiviral activity of a series of HIV-1 protease inhibitors with functionality tethered to the P1 or P1' phenyl substituents: X-ray crystal structure assisted design. Merck Research Laboratories 07/07/04
8765512 Paracyclophanes: a novel class of water-soluble inhibitors of HIV proteinase. Sandoz Research Institute 07/06/04
2002466 Benzocycloalkyl amines as novel C-termini for HIV protease inhibitors. Merck Sharp and Dohme Research Laboratories 06/24/04
10508432 Design and fast synthesis of C-terminal duplicated potent C(2)-symmetric P1/P1'-modified HIV-1 protease inhibitors. Uppsala University 06/24/04
12534275 A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance. Johns Hopkins University 06/23/04
12093278 Amplification of the effects of drug resistance mutations by background polymorphisms in HIV-1 protease from African subtypes. Johns Hopkins University 06/22/04
12699382 An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study. Academy of Sciences of the Czech Republic 06/22/04
11906284 Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor. Academy of Sciences of the Czech Republic 06/22/04
11784141 Beta-strand mimicking macrocyclic amino acids: templates for protease inhibitors with antiviral activity. University of Queensland 06/17/04
8494379 In vitro anti-human immunodeficiency virus (HIV) activities of transition state mimetic HIV protease inhibitors containing allophenylnorstatine. National Cancer Institute 06/17/04
14690411 Secondary mutations M36I and A71V in the human immunodeficiency virus type 1 protease can provide an advantage for the emergence of the primary mutation D30N. University of Florida College of Medicine 06/16/04
7783120 Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. Upjohn 06/16/04
12940739 Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin. University of Groningen 06/15/04
8171040 L-735,524: an orally bioavailable human immunodeficiency virus type 1 protease inhibitor. Merck Research Laboratories 06/14/04
7932546 Structure-based design of HIV protease inhibitors: 4-hydroxycoumarins and 4-hydroxy-2-pyrones as non-peptidic inhibitors. Upjohn 06/14/04
8544171 Structure-based design of sulfonamide-substituted non-peptidic HIV protease inhibitors. Upjohn 06/14/04
2002465 L-687,908, a potent hydroxyethylene-containing HIV protease inhibitor. Merck Research Laboratories 06/03/04
12723947 Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors. University of Pennsylvania 06/02/04
10346931 Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine. Japan Energy Corporation 06/02/04
10737742 2',6'-Dimethylphenoxyacetyl: a new achiral high affinity P(3)-P(2) ligand for peptidomimetic-based HIV protease inhibitors. Boehringer Ingelheim Pharmaceuticals Inc. 05/17/04
11585445 Synthesis of potent C(2)-symmetric, diol-based hiv-1 protease inhibitors. Investigation of thioalkyl and thioaryl P1/P1' substituents. Stockholm University 05/13/04
8230098 A series of penicillin derived C2-symmetric inhibitors of HIV-1 proteinase: synthesis, mode of interaction, and structure-activity relationships. Glaxo Group Research Ltd. 05/11/04
11585446 Synthesis of novel, potent, diol-based HIV-1 protease inhibitors via intermolecular pinacol homocoupling of (2S)-2-benzyloxymethyl-4-phenylbutanal. Stockholm University 05/11/04
14622012 Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations. Johns Hopkins University 05/10/04
8893827 Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors. Upjohn 04/27/04
8642558 Aminodiol HIV protease inhibitors. Synthesis and structure-activity relationships of P1/P1' compounds: correlation between lipophilicity and cytotoxicity. Bristol-Myers Squibb Company 04/21/04
8765511 Nonpeptidal P2 ligands for HIV protease inhibitors: structure-based design, synthesis, and biological evaluation. University of Illinois at Chicago 04/21/04
8230099 Synthesis and structure-activity relationships of a series of penicillin-derived HIV proteinase inhibitors containing a stereochemically unique peptide isostere. Glaxo Group Research Ltd. 04/21/04
8164260 The development of cyclic sulfolanes as novel and high-affinity P2 ligands for HIV-1 protease inhibitors. Merck Research Laboratories 04/21/04
11009599 Thermodynamic basis of resistance to HIV-1 protease inhibition: calorimetric analysis of the V82F/I84V active site resistant mutant. Johns Hopkins University 04/20/04
8642563 Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching. National Institutes of Health 04/08/04
8423599 Discovery of a novel class of potent HIV-1 protease inhibitors containing the (R)-(hydroxyethyl)urea isostere. Monsanto Corporate Research 04/07/04
10715152 5,6-Dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease. Parke-Davis Pharmaceutical Research 04/06/04
8423600 3-Tetrahydrofuran and pyran urethanes as high-affinity P2-ligands for HIV-1 protease inhibitors. Merck Research Laboratories 03/31/04
8464047 Cyclic sulfolanes as novel and high affinity P2 ligands for HIV-1 protease inhibitors. Merck Research Laboratories 03/31/04
11543677 Design and synthesis of potent C(2)-symmetric diol-based HIV-1 protease inhibitors: effects of fluoro substitution. Linkoping University 03/30/04
11170625 Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. Uppsala University 03/30/04
11112523 Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface. University of Maryland Biotechnology Institute 05/23/03
12408711 Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. Sunesis Pharmaceuticals 04/02/03
9829999 Inhibition of human caspases by peptide-based and macromolecular inhibitors. Merck Research Laboratories 04/01/03
10381624 Purification and catalytic properties of human caspase family members. Merck Research Laboratories 04/01/03
12044152 DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose. UFR de Pharmacie 03/31/03
8961940 Properties of tetrahydropteroylpentaglutamate bound to 10-formyltetrahydrofolate dehydrogenase. Virginia Commonwealth University 03/31/03
2757186 Rapid measurement of binding constants and heats of binding using a new titration calorimeter. MicroCal, Inc. 03/31/03
1621989 Synthesis of (6S)-5-formyltetrahydropteroyl-polyglutamates and interconversion to other reduced pteroylpolyglutamate derivatives. Virginia Commonwealth University 03/31/03
9753439 Thermodynamic analysis of the binding of the polyglutamate chain of 5-formyltetrahydropteroylpolyglutamates to serine hydroxymethyltransferase. Virginia Commonwealth University 03/31/03
12014967 Beta-aryl-succinic acid hydroxamates as dual inhibitors of matrix metalloproteinases and tumor necrosis factor alpha converting enzyme. Novartis Pharmaceuticals 03/05/03
9836373 Role of pro-inflammatory cytokines in rheumatoid arthritis. Kennedy Institute of Rheumatology 03/05/03
8311464 Thioester hydrolysis by matrix metalloproteinases. Merck Research Laboratories 03/05/03
1577761 Arginine residues involved in binding of tetrahydrofolate to sheep liver serine hydroxymethyltransferase. Indian Institute of Science 02/25/03
8759643 Aza-peptide analogs as potent human immunodeficiency virus type-1 protease inhibitors with oral bioavailability. Ciba-Geigy Ltd. 05/09/02
7613867 Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor. Ciba-Geigy Ltd. 05/09/02
2200122 Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease. Abbott Laboratories 05/07/02
8558507 A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease. Abbott Laboratories 04/01/02
11305907 The vnd/NK-2 homeodomain: thermodynamics of reversible unfolding and DNA binding for wild-type and with residue replacements H52R and H52R/T56W in helix III. National Institutes of Health 08/31/01
10531324 Thermodynamic analyses reveal role of water release in epitope recognition by a monoclonal antibody against the human guanylyl cyclase C receptor. Indian Institute of Science 12/20/00
10777579 Thermodynamic consequences of grafting enhanced affinity toward the mutated antigen onto an antibody. The case of anti-lysozyme antibody, HyHEL-10. Tohoku University 12/20/00
9601024 Energetic roles of hydrogen bonds at the ureido oxygen binding pocket in the streptavidin-biotin complex. University of Washington at Seattle 12/19/00
10908357 Recognition of a cognate RNA aptamer by neomycin B: quantitative evaluation of hydrogen bonding and electrostatic interactions. Ohio State University 12/19/00
10606521 Equilibrium thermodynamics of a physiologically-relevant heme-protein complex. University of North Carolina at Chapel Hill 12/15/00
10480891 Salt links dominate affinity of antibody HyHEL-5 for lysozyme through enthalpic contributions. University of Houston 12/13/00
10747922 Compulsory order of substrate binding to herpes simplex virus type 1 thymidine kinase. A calorimetric study. Swiss Federal Institute of Technology 12/13/00
10694412 Thermodynamics of substrate binding to the chaperone SecB. Indian Institute of Science 12/13/00
10869183 Thermodynamics of sequence-specific binding of PNA to DNA. Chalmers University of Technology 12/12/00
8302837 Bound water molecules and conformational stabilization help mediate an antigen-antibody association. Institut Pasteur 12/11/00
8955089 Role of salt bridge formation in antigen-antibody interaction. Entropic contribution to the complex between hen egg white lysozyme and its monoclonal antibody HyHEL10. Tohoku University 12/11/00
9636058 Calorimetric investigation of ethidium and netropsin binding to chicken erythrocyte chromatin. Universite de Liege 12/11/00
9677382 Thermodynamics of binding of calcium, magnesium, and zinc to the N-methyl-D-aspartate receptor ion channel peptidic inhibitors, conantokin-G and conantokin-T. University of Notre Dame 12/11/00
9843408 Role of the cofactor calcium in the activation of outer membrane phospholipase A. Utrecht University 12/11/00
7705353 Thermodynamics of antigen-antibody binding using specific anti-lysozyme antibodies. University of Maryland Biotechnology Institute 12/11/00
10852706 Inhibiting protein-protein interactions: a model for antagonist design. Pfizer 12/05/00
9405047 Energetics of heme binding to native and denatured states of cytochrome b562. University of Illinois at Urbana-Champaign 12/04/00
10777500 Distinct Ca2+ binding properties of novel C2 domains of plant phospholipase dalpha and beta. Kansas State University 12/04/00
7673199 The affinity maturation of anti-4-hydroxy-3-nitrophenylacetyl mouse monoclonal antibody. A calorimetric study of the antigen-antibody interaction. Institute of Physical and Chemical Research (RIKEN) 12/04/00
9254595 Thermodynamic and structural analysis of phosphotyrosine polypeptide binding to Grb2-SH2. Schering-Plough Research Institute 11/29/00