Vitamin D analog, 10 BDBM93065 Vitamin D analog, 14
Vitamin D analog, 11 BDBM93062 Vitamin D analog, 15
Vitamin D analog, 12 BDBM93066 Vitamin D analog, 16
Vitamin D analog, 17 BDBM93067 Vitamin D analog, 13
CHEBI:28940 Vitamin D 3 Vitamin D Cholecalciferol 7-Dehydrocholesterol BDBM50030475 Colecalciferol Dihydrocholesterol
BDBM93061 Vitamin D analog, 6
BDBM93063 Vitamin D analog, 8
BDBM93064 Vitamin D analog, 9
BDBM93068 Vitamin D analog, 14
BDBM93069 Vitamin D analog, 15
BDBM93070 Vitamin D analog, 16
BDBM93071 Vitamin D analog, 17
BDBM93072 Vitamin D analog, 7
Viosterol in Oil Vitamin D2 Osto-D2 Drisdol Ergoral D2 Uvesterol D BDBM50247883 Caltrate Ergocalciferol Oleovitamin D, Synthetic Oleovitamin D D-Forte Sterogyl Sterogyl 15H Vitamin D 2 Ergo-D2 Calciferol Vitamin D Eciferol D2 Deltalin Calciferol In Arach Oil Lanes Sterogyl-15 CHEBI:28934
BDBM512999 Vitamin B12
Vitamin B12 BDBM420313
CYANOCOBALAMIN Cobalamin SMR001233181 RUVITE MLS002153809 vitamin B12 cid_25102581 BDBM83973
Folic Acid Folvite Pteroylglutamic Acid CHEBI:27470 Natur Flow Folicet Folicare Vitamin Bc Roche Folacin Lexpec BDBM50237629 Preconceive Vitamin M Bio Science Folsan
CHEBI:16709 Pyridoxine Hexa-Betalin M.V.I.-12 BDBM50103505 Vitamin B6
CHEMBL494338 BDBM50257431 1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin D3
2-methyl-1,4-naphthoquinone, 5 Menadione (Vitamin K3) 2-methyl-1,4-dihydronaphthalene-1,4-dione CHEMBL590 Menadione BDBM24778 cid_4055 Menadione (5d) Vitamin K3 Menadione, 9
Folvite BDBM50367343 Folacin FOLIC ACID Vitamin B9 (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Vitamin M
Alpha Tocopherol BDBM50458513 Aquasol E E307 Vitamin E CHEBI:18145 Tocopherol
Phytomenadione Konakion mm BDBM50553259 Konakion mm paed Orakay Vitamin k1 Mephyton Kanavit NSC-270681 Aquamephyton Neokay Vitamin K 1 CHEBI:18067 Phylloquinone Phylloquinone e-form Konakion Phytonadione
CHEMBL220846 (20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D3 BDBM50205234
CHEMBL222195 BDBM50205233 (20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D3
CHEMBL375811 BDBM50205235 (20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D3
BDBM50373877 THIAMINE (VIT B1) Betaxin ThOH CA inhibitor, 3 Vitamin B 1 Thiamine
Vitamin B 5 CHEBI:46905 Cantopal BDBM50240040 Calc Pantoth Pantothenic Acid Pantothenic acid 
CHEMBL492749 BDBM50293274 1alpha,25(OH)2-24-oxo-16-ene-20-cyclopropyl-vitamin D3
all-trans retinoic acid TRETINOIN MLS000028588 [3H]RA Vitamin A acid ALL-TRANS-RETINOIC ACID [3H]Retinoic acid cid_444795 9-cis-retinoic acid (9cRA) BDBM31883 AT-RA Atralin CHEMBL38 SMR000058245 [3H]tretinoin [3H]Vitamin A acid
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione vitamin K1, 11 Phylloquinone BDBM24782 Phytonadione
D-Ala-D-Ala BDBM50022571 D-alanyl-D-alanine CHEMBL299420
FE200041 BDBM86477 d-Phe-d-Phe-d-Nle-d-Arg-NH2
- Gogoi, P; Seoane, S; Sigüeiro, R; Guiberteau, T; Maestro, MA; Pérez-Fernández, R; Rochel, N; Mouriño, A Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J Med Chem 61: 4928-4937 (2018)
- Anami, Y; Itoh, T; Egawa, D; Yoshimoto, N; Yamamoto, K A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: active vitamin D analogues with 22R-alkyl group. J Med Chem 57: 4351-67 (2014)
- Cho, K; Uneuchi, F; Kato-Nakamura, Y; Namekawa, J; Ishizuka, S; Takenouchi, K; Nagasawa, K Structure-activity relationship studies on vitamin D lactam derivatives as vitamin D receptor antagonist. Bioorg Med Chem Lett 18: 4287-90 (2008)
- Nakabayashi, M; Yamada, S; Yoshimoto, N; Tanaka, T; Igarashi, M; Ikura, T; Ito, N; Makishima, M; Tokiwa, H; DeLuca, HF; Shimizu, M Crystal structures of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis for vitamin D receptor antagonism and partial agonism. J Med Chem 51: 5320-9 (2008)
- Teske, KA; Bogart, JW; Sanchez, LM; Yu, OB; Preston, JV; Cook, JM; Silvaggi, NR; Bikle, DD; Arnold, LA Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites. Eur J Med Chem 109: 238-46 (2016)
- Kawagoe, F; Mendoza, A; Hayata, Y; Asano, L; Kotake, K; Mototani, S; Kawamura, S; Kurosaki, S; Akagi, Y; Takemoto, Y; Nagasawa, K; Nakagawa, H; Uesugi, M; Kittaka, A Discovery of a Vitamin D Receptor-Silent Vitamin D Derivative That Impairs Sterol Regulatory Element-Binding Protein In Vivo. J Med Chem 64: 5689-5709 (2021)
- Sidhu, PS; Nassif, N; McCallum, MM; Teske, K; Feleke, B; Yuan, NY; Nandhikonda, P; Cook, JM; Singh, RK; Bikle, DD; Arnold, LA Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett 5: 199-204 (2014)
- Yamamoto, K; Abe, D; Yoshimoto, N; Choi, M; Yamagishi, K; Tokiwa, H; Shimizu, M; Makishima, M; Yamada, S Vitamin D receptor: ligand recognition and allosteric network. J Med Chem 49: 1313-24 (2006)
- Kudo, T; Ishizawa, M; Maekawa, K; Nakabayashi, M; Watarai, Y; Uchida, H; Tokiwa, H; Ikura, T; Ito, N; Makishima, M; Yamada, S Combination of triple bond and adamantane ring on the vitamin D side chain produced partial agonists for vitamin D receptor. J Med Chem 57: 4073-87 (2014)
- Wang, B; Hao, M; Zhang, C Design, synthesis and biological evaluation of nonsecosteroidal vitamin D Bioorg Med Chem Lett 27: 1428-1436 (2017)
- Sasaki, H; Masuno, H; Kawasaki, H; Yoshihara, A; Numoto, N; Ito, N; Ishida, H; Yamamoto, K; Hirata, N; Kanda, Y; Kawachi, E; Kagechika, H; Tanatani, A Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J Med Chem 64: 516-526 (2021)
- Lamblin, M; Dabbas, B; Spingarn, R; Mendoza-Sanchez, R; Wang, TT; An, BS; Huang, DC; Kremer, R; White, JH; Gleason, JL Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. Bioorg Med Chem 18: 4119-37 (2010)
- Matsuo, M; Hasegawa, A; Takano, M; Saito, H; Kakuda, S; Chida, T; Takagi, K; Ochiai, E; Horie, K; Harada, Y; Takimoto-Kamimura, M; Takenouchi, K; Sawada, D; Kittaka, A Synthesis of 2α-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo. ACS Med Chem Lett 4: 671-4 (2013)
- Masuno, H; Kazui, Y; Tanatani, A; Fujii, S; Kawachi, E; Ikura, T; Ito, N; Yamamoto, K; Kagechika, H Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg Med Chem 27: 3674-3681 (2019)
- OKAMOTO, S; IBE, K VITAMIN D3-LIKE COMPOUND US Patent US20240317663 (2024)
- SMITH, P; ZHANG, Z; PARKER, M; FIDGE, J JAK INHIBITOR WITH A VITAMIN D ANALOG FOR TREATMENT OF SKIN DISEASES US Patent US20250049817 (2025)
- Ryall, RP; Nandi, DL; Silverman, RB Substituted vitamin K epoxide analogues. New competitive inhibitors and substrates of vitamin K1 epoxide reductase. J Med Chem 33: 1790-7 (1990)
- Demizu, Y; Takahashi, T; Kaneko, F; Sato, Y; Okuda, H; Ochiai, E; Horie, K; Takagi, K; Kakuda, S; Takimoto-Kamimura, M; Kurihara, M Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands. Bioorg Med Chem Lett 21: 6104-7 (2011)
- Mita, Y; Dodo, K; Noguchi-Yachide, T; Miyachi, H; Makishima, M; Hashimoto, Y; Ishikawa, M LXXLL peptide mimetics as inhibitors of the interaction of vitamin D receptor with coactivators. Bioorg Med Chem Lett 20: 1712-7 (2010)
- Misawa, T; Tsuji, G; Takahashi, T; Ochiai, E; Takagi, KI; Horie, K; Kakuda, S; Takimoto-Kamimura, M; Kurihara, M; Demizu, Y Structural development of non-secosteroidal vitamin D receptor (VDR) ligands without any asymmetric carbon. Bioorg Med Chem 26: 6146-6152 (2018)
- Kato, A; Yamao, M; Hashihara, Y; Ishida, H; Itoh, T; Yamamoto, K Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action. J Med Chem 60: 8394-8406 (2017)
- Lamblin, M; Spingarn, R; Wang, TT; Burger, MC; Dabbas, B; Moitessier, N; White, JH; Gleason, JL An o-aminoanilide analogue of 1a,25-dihydroxyvitamin D(3) functions as a strong vitamin D receptor antagonist. J Med Chem 53: 7461-5 (2010)
- Demizu, Y; Nagoya, S; Shirakawa, M; Kawamura, M; Yamagata, N; Sato, Y; Doi, M; Kurihara, M Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions. Bioorg Med Chem Lett 23: 4292-6 (2013)
- Yoshizawa, M; Itoh, T; Hori, T; Kato, A; Anami, Y; Yoshimoto, N; Yamamoto, K Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands. J Med Chem 61: 6339-6349 (2018)
- Misawa, T; Demizu, Y; Kawamura, M; Yamagata, N; Kurihara, M Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors. Bioorg Med Chem 23: 1055-61 (2015)
- Belorusova, AY; Martínez, A; Gándara, Z; Gómez, G; Fall, Y; Rochel, N Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem 134: 86-96 (2017)
- Taban, IM; Zhu, J; DeLuca, HF; Simons, C Analysis of the binding sites of vitamin D 1α-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: Homology modelling, molecular dynamics simulations and identification of key binding requirements. Bioorg Med Chem 25: 5629-5636 (2017)
- Ciesielski, F; Sato, Y; Chebaro, Y; Moras, D; Dejaegere, A; Rochel, N Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor. J Med Chem 55: 8440-9 (2012)
- Arichi, N; Fujiwara, S; Ishizawa, M; Makishima, M; Hua, DH; Yamada, KI; Yamaoka, Y; Takasu, K Synthesis and biological evaluation of steroidal derivatives bearing a small ring as vitamin D receptor agonists. Bioorg Med Chem Lett 27: 3408-3411 (2017)
- Chen, B; Kawai, M; Wu-Wong, JR Synthesis of VS-105: A novel and potent vitamin D receptor agonist with reduced hypercalcemic effects. Bioorg Med Chem Lett 23: 5949-52 (2013)
- Yoshimoto, N; Sakamaki, Y; Haeta, M; Kato, A; Inaba, Y; Itoh, T; Nakabayashi, M; Ito, N; Yamamoto, K Butyl pocket formation in the vitamin D receptor strongly affects the agonistic or antagonistic behavior of ligands. J Med Chem 55: 4373-81 (2012)
- Hao, M; Hou, S; Xue, L; Yuan, H; Zhu, L; Wang, C; Wang, B; Tang, C; Zhang, C Further Developments of the Phenyl-Pyrrolyl Pentane Series of Nonsteroidal Vitamin D Receptor Modulators as Anticancer Agents. J Med Chem 61: 3059-3075 (2018)
- Boehm, MF; Fitzgerald, P; Zou, A; Elgort, MG; Bischoff, ED; Mere, L; Mais, DE; Bissonnette, RP; Heyman, RA; Nadzan, AM; Reichman, M; Allegretto, EA Novel nonsecosteroidal vitamin D mimics exert VDR-modulating activities with less calcium mobilization than 1,25-dihydroxyvitamin D3. Chem Biol 6: 265-75 (1999)
- Nandhikonda, P; Lynt, WZ; McCallum, MM; Ara, T; Baranowski, AM; Yuan, NY; Pearson, D; Bikle, DD; Guy, RK; Arnold, LA Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem 55: 4640-51 (2012)
- Inaba, Y; Yoshimoto, N; Sakamaki, Y; Nakabayashi, M; Ikura, T; Tamamura, H; Ito, N; Shimizu, M; Yamamoto, K A new class of vitamin D analogues that induce structural rearrangement of the ligand-binding pocket of the receptor. J Med Chem 52: 1438-49 (2010)
- Kang, Z; Wang, C; Tong, Y; Li, Y; Gao, Y; Hou, S; Hao, M; Han, X; Wang, B; Wang, Q; Zhang, C Novel Nonsecosteroidal Vitamin D Receptor Modulator Combined with Gemcitabine Enhances Pancreatic Cancer Therapy through Remodeling of the Tumor Microenvironment. J Med Chem 64: 629-643 (2021)
- Tocchini-Valentini, G; Rochel, N; Wurtz, JM; Moras, D Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modificatio J Med Chem 47: 1956-61 (2004)
- Hosoda, S; Tanatani, A; Wakabayashi, K; Nakano, Y; Miyachi, H; Nagasawa, K; Hashimoto, Y Ligands with dual vitamin D3-agonistic and androgen-antagonistic activities. Bioorg Med Chem Lett 15: 4327-31 (2005)
- Misawa, T; Yorioka, M; Demizu, Y; Noguchi-Yachide, T; Ohoka, N; Kurashima-Kinoshita, M; Motoyoshi, H; Nojiri, H; Kittaka, A; Makishima, M; Naito, M; Kurihara, M Effects of alkyl side chains and terminal hydrophilicity on vitamin D receptor (VDR) agonistic activity based on the diphenylpentane skeleton. Bioorg Med Chem Lett 25: 5362-6 (2015)
- Mita, Y; Dodo, K; Noguchi-Yachide, T; Hashimoto, Y; Ishikawa, M Structure-activity relationship of benzodiazepine derivatives as LXXLL peptide mimetics that inhibit the interaction of vitamin D receptor with coactivators. Bioorg Med Chem 21: 993-1005 (2013)
- Saito, N; Matsunaga, T; Saito, H; Anzai, M; Takenouchi, K; Miura, D; Namekawa, J; Ishizuka, S; Kittaka, A Further synthetic and biological studies on vitamin D hormone antagonists based on C24-alkylation and C2alpha-functionalization of 25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactones. J Med Chem 49: 7063-75 (2006)
- Belorusova, AY; Eberhardt, J; Potier, N; Stote, RH; Dejaegere, A; Rochel, N Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition. J Med Chem 57: 4710-9 (2014)
- Blagg, J; Bavetsias, V; Moore, AS; Linardopoulos, S Pharmaceutically active compounds US Patent US9447092 (2016)
- Hoelder, S; Blagg, J; Cheung, KJ; Atrash, B; Sheldrake, P Pharmacologically active compounds US Patent US10188642 (2019)
- Dodo, K; Takahashi, M; Yamada, Y; Sugimoto, Y; Hashimoto, Y; Shirai, R Synthesis of a novel class of cdc25A inhibitors from vitamin D3. Bioorg Med Chem Lett 10: 615-7 (2000)
- Taylor, AM; Vaswani, RG; Gehling, VS; Hewitt, MC; Leblanc, Y; Audia, JE; Bellon, S; Cummings, RT; Côté, A; Harmange, JC; Jayaram, H; Joshi, S; Lora, JM; Mertz, JA; Neiss, A; Pardo, E; Nasveschuk, CG; Poy, F; Sandy, P; Setser, JW; Sims, RJ; Tang, Y; Albrecht, BK Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. ACS Med Chem Lett 7: 145-50 (2016)
- Nagashima, S; Hondo, T; Nagata, H; Ogiyama, T; Maeda, J; Hoshii, H; Kontani, T; Kuromitsu, S; Ohga, K; Orita, M; Ohno, K; Moritomo, A; Shiozuka, K; Furutani, M; Takeuchi, M; Ohta, M; Tsukamoto, S Novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potent and orally active STAT6 inhibitors. Bioorg Med Chem 17: 6926-36 (2009)
- Zárate-Ruíz, A; Seoane, S; Peluso-Iltis, C; Peters, S; Gregorio, C; Guiberteau, T; Maestro, M; Pérez-Fernández, R; Rochel, N; Mouriño, A Further Studies on the Highly Active Des-C-Ring and Aromatic-D-Ring Analogues of 1α,25-Dihydroxyvitamin D J Med Chem 66: 15326-15339 (2023)
- Korytnyk, W; Angelino, N Vitamin B6 antagonists obtained by replacing or modifying the 2-methyl group. J Med Chem 20: 745-9 (1977)
- Cutshall, NS; Ferguson, KM; Zuta, CP Optically active PDE10 inhibitor US Patent US9493447 (2016)
- Boyle, RG; Boyce, RJ Pharmaceutically active pyrazine derivatives US Patent US9630931 (2017)
- Fournié-Zaluski, MC; Coric, P; Turcaud, S; Bruetschy, L; Lucas, E; Noble, F; Roques, BP Potent and systemically active aminopeptidase N inhibitors designed from active-site investigation. J Med Chem 35: 1259-66 (1992)
- Subkowski, T; Backes, M; Oertling, H; Machinek, A; Loges, H; Simchen, U; Surburg, H; Bollschweiler, C; Wittenberg, J; Siegel, W Use of physiological cooling active ingredients, and agents containing such active ingredients US Patent US10584134 (2020)
- Grzywacz, P; Plum, LA; Clagett-Dame, M; Deluca, HF 26- and 27-Methyl groups of 2-substituted, 19-nor-1a,25-dihydroxylated vitamin D compounds are essential for calcium mobilization in vivo. Bioorg Chem 47: 9-16 (2013)
- Kang, ZS; Wang, C; Han, XL; Wang, B; Yuan, HL; Hou, SY; Hao, MX; Du, JJ; Li, YY; Zhou, AW; Zhang, C Sulfonyl-containing phenyl-pyrrolyl pentane analogues: Novel non-secosteroidal vitamin D receptor modulators with favorable physicochemical properties, pharmacokinetic properties and anti-tumor activity. Eur J Med Chem 157: 1174-1191 (2018)
- Sun, Y; Fu, R; Lin, S; Zhang, J; Ji, M; Zhang, Y; Wu, D; Zhang, K; Tian, H; Zhang, M; Sheng, L; Li, Y; Jin, J; Chen, X; Xu, H Discovery of new thieno[2,3-d]pyrimidine and thiazolo[5,4-d]pyrimidine derivatives as orally active phosphoinositide 3-kinase inhibitors. Bioorg Med Chem 29: (2021)
- Exell, JC; Thompson, MJ; Finger, LD; Shaw, SJ; Debreczeni, J; Ward, TA; McWhirter, C; Siöberg, CL; Martinez Molina, D; Abbott, WM; Jones, CD; Nissink, JW; Durant, ST; Grasby, JA Cellularly active N-hydroxyurea FEN1 inhibitors block substrate entry to the active site. Nat Chem Biol 12: 815-21 (2016)
- Montagut-Romans, A; Boulven, M; Jacolot, M; Moebs-Sanchez, S; Hascoët, C; Hammed, A; Besse, S; Lemaire, M; Benoit, E; Lattard, V; Popowycz, F Synthesis and biological evaluation of C-3 aliphatic coumarins as vitamin K antagonists. Bioorg Med Chem Lett 27: 1598-1601 (2017)
- Anami, Y; Sakamaki, Y; Itoh, T; Inaba, Y; Nakabayashi, M; Ikura, T; Ito, N; Yamamoto, K Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity. Bioorg Med Chem 23: 7274-81 (2015)
- Laverny, G; Penna, G; Uskokovic, M; Marczak, S; Maehr, H; Jankowski, P; Ceailles, C; Vouros, P; Smith, B; Robinson, M; Reddy, GS; Adorini, L Synthesis and anti-inflammatory properties of 1alpha,25-dihydroxy-16-ene-20-cyclopropyl-24-oxo-vitamin D3, a hypocalcemic, stable metabolite of 1alpha,25-dihydroxy-16-ene-20-cyclopropyl-vitamin D3. J Med Chem 52: 2204-13 (2009)
- Qiu, Y; Taichi, M; Wei, N; Yang, H; Luo, KQ; Tam, JP An Orally Active Bradykinin B J Med Chem 60: 504-510 (2017)
- van der Westhuyzen, R; Mabhula, A; Njaria, PM; Müller, R; Ngumbu Muhunga, D; Taylor, D; Lawrence, N; Njoroge, M; Brunschwig, C; Moosa, A; Singh, V; Rao, SPS; Manjunatha, UH; Smith, PW; Warner, DF; Street, LJ; Chibale, K Benzoheterocyclic Oxime Carbamates Active against J Med Chem 64: 9444-9457 (2021)
- Schrøder Glad, S; Sarvary, I; Gouliaev, AH; Franch, T; Nielsen, SJ; Stasi, LP; Erra Solà, M; Taboada Martínez, L; Taltavull Moll, J; Caturla Javaloyes, JF; Pagès Santacana, LM COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS US Patent US20230271937 (2023)
- Schrøder Glad, S; Sarvary, I; Gouliaev, AH; Stasi, LP Compounds active towards nuclear receptors US Patent US11613532 (2023)
- Liu, S; Yu, Z; Pang, W; Wang, J; Chen, P Highly active CSF1R inhibitor compound US Patent US11591328 (2023)
- González Cabrera, D; Douelle, F; Feng, TS; Nchinda, AT; Younis, Y; White, KL; Wu, Q; Ryan, E; Burrows, JN; Waterson, D; Witty, MJ; Wittlin, S; Charman, SA; Chibale, K Novel orally active antimalarial thiazoles. J Med Chem 54: 7713-9 (2011)
- Kamioka, S; Ban, H; Shimada, N; Hirose, W; Arakawa, A; Yamazaki, K; Hira, K Optically active azabicyclo ring derivative US Patent US11369605 (2022)
- Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Orally active, nonpeptide oxytocin antagonists. J Med Chem 35: 3919-27 (1992)
- Korytnyk, W; Potti, PG Antagonists of vitamin B6. Simultaneous and stepwise modification of the 2 and 4 positions. J Med Chem 20: 1-5 (1977)
- Shimazawa, R; Suzuki, T; Dodo, K; Shirai, R Design and synthesis of dysidiolide analogs from vitamin D3: novel class of Cdc25A inhibitors. Bioorg Med Chem Lett 14: 3291-4 (2004)
- Li, X; Himes, RA; Prosser, LC; Christie, CF; Watt, E; Edwards, SF; Metcalf, CS; West, PJ; Wilcox, KS; Chan, SSL; Chou, CJ Discovery of the First Vitamin K Analogue as a Potential Treatment of Pharmacoresistant Seizures. J Med Chem 63: 5865-5878 (2020)
- Islam, I; Ng, KY; Chong, KT; McQuade, TJ; Hui, JO; Wilkinson, KF; Rush, BD; Ruwart, MJ; Borchardt, RT; Fisher, JF Evaluation of a vitamin-cloaking strategy for oligopeptide therapeutics: biotinylated HIV-1 protease inhibitors. J Med Chem 37: 293-304 (1994)
- Maschinot, CA; Chau, LQ; Wechsler-Reya, RJ; Hadden, MK Synthesis and evaluation of third generation vitamin D3 analogues as inhibitors of Hedgehog signaling. Eur J Med Chem 162: 495-506 (2019)
- Dow, RL; Andrews, M; Aspnes, GE; Balan, G; Michael Gibbs, E; Guzman-Perez, A; Karki, K; Laperle, JL; Li, JC; Litchfield, J; Munchhof, MJ; Perreault, C; Patel, L Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core. Bioorg Med Chem Lett 21: 6122-5 (2011)
- Musumeci, F; Fallacara, AL; Brullo, C; Grossi, G; Botta, L; Calandro, P; Chiariello, M; Kissova, M; Crespan, E; Maga, G; Schenone, S Identification of new pyrrolo[2,3-d]pyrimidines as Src tyrosine kinase inhibitors in vitro active against Glioblastoma. Eur J Med Chem 127: 369-378 (2017)
- Labelle, M; Prasit, P; Belley, M; Blouin, M; Champion, E; Charette, L; DeLuca, JG; Dufresne, C; Frenette, R; Gauthier, JY; Grimm, E; Grossman, SJ; Guay, D; Herold, EG; Jones, TR; Lau, CK; Leblanc, Y; Léger, S; Lord, A; McAuliffe, M The discovery of a new structural class of potent orally active leukotriene D4 antagonists Bioorg Med Chem Lett 2: 1141-1146 (1992)
- Chen, DU; Kuo, PY; Yang, DY Design and synthesis of novel diphenacoum-derived, conformation-restricted vitamin K 2,3-epoxide reductase inhibitors. Bioorg Med Chem Lett 15: 2665-8 (2005)
- Verma, A; Saraf, SK 4-thiazolidinone--a biologically active scaffold. Eur J Med Chem 43: 897-905 (2008)
- Sommadossi, J; Moussa, A Highly active compounds against COVID-19 US Patent US10874687 (2020)
- Horwell, DC; Nichols, PD; Roberts, E Methionine replacements in biologically active peptides Bioorg Med Chem Lett 4: 2263-2266 (1994)
- Senokuchi, K; Nakai, H; Nakayama, Y; Odagaki, Y; Sakaki, K; Kato, M; Maruyama, T; Miyazaki, T; Ito, H; Kamiyasu, K New orally active serine protease inhibitors. J Med Chem 38: 2521-3 (1995)
- Poce, G; Consalvi, S; Venditti, G; Alfonso, S; Desideri, N; Fernandez-Menendez, R; Bates, RH; Ballell, L; Barros Aguirre, D; Rullas, J; De Logu, A; Gardner, M; Ioerger, TR; Rubin, EJ; Biava, M Novel Pyrazole-Containing Compounds Active against ACS Med Chem Lett 10: 1423-1429 (2019)
- Hansen, TK; Ankersen, M; Hansen, BS; Raun, K; Nielsen, KK; Lau, J; Peschke, B; Lundt, BF; Thøgersen, H; Johansen, NL; Madsen, K; Andersen, PH Novel orally active growth hormone secretagogues. J Med Chem 41: 3705-14 (1998)
- Schultz-Fademrecht, C; Klebl, B; Choidas, A; Koch, U; Eickhoff, J; Wolf, A; Ullrich, A Pharmaceutically active compounds as Axl inhibitors US Patent US8999982 (2015)
- Uddin, MJ; Smithson, DC; Brown, KM; Crews, BC; Connelly, M; Zhu, F; Marnett, LJ; Guy, RK Podophyllotoxin analogues active versus Trypanosoma brucei. Bioorg Med Chem Lett 20: 1787-91 (2010)
- Brasca, MG; Bindi, S; Caldarelli, M; Nesi, M; Orrenius, SC; Panzeri, A Substituted pyrroles active as kinases inhibitors US Patent US9688661 (2017)
- Iwanowicz, EJ; Kimball, SD; Lin, J; Lau, W; Han, WC; Wang, TC; Roberts, DG; Schumacher, WA; Ogletree, ML; Seiler, SM Retro-binding thrombin active site inhibitors: identification of an orally active inhibitor of thrombin catalytic activity. Bioorg Med Chem Lett 12: 3183-6 (2002)
- Doweyko, AM The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J Med Chem 31: 1396-406 (1988)
- Labelle, M; Belley, M; Champion, E; Gordon, R; Hoogsteen, K; Jones, TR; Leblanc, Y; Lord, A; McAuliffe, M; McFarlane, C; Masson, P; Metters, KM; Nicoll-Griffith, D; Ouimet, N; Piechuta, H; Rochette, C; Sawyer, N; Xiang, YB; Yergey, J; Ford-Hutchinson, AW The discovery of L-699,392, a novel potent and orally active leukotriene D4 receptor antagonist Bioorg Med Chem Lett 4: 463-468 (1994)
- Calverley, MJ; Binderup, L Synthesis and biological evaluation of MC 1357, a new 20-epi-23-oxa-1α,25-dihydroxy-vitamin D3 analogue with potent non-classical effects Bioorg Med Chem Lett 3: 1845-1848 (1993)
- Silverman, RB; Oliver, JS 2-(Fluoromethyl)-3-phytyl-1,4-naphthoquinone and its 2,3-epoxide. Inhibition of vitamin K epoxide reductase. J Med Chem 32: 2138-41 (1989)
- Lin, Z; Marepally, SR; Ma, D; Kim, TK; Oak, AS; Myers, LK; Tuckey, RC; Slominski, AT; Miller, DD; Li, W Synthesis and Biological Evaluation of Vitamin D3 Metabolite 20S,23S-Dihydroxyvitamin D3 and Its 23R Epimer. J Med Chem 59: 5102-8 (2016)
- Sánchez-Abella, L; Fernández, S; Verstuyf, A; Verlinden, L; Gotor, V; Ferrero, M Synthesis, conformational analysis, and biological evaluation of 19-nor-vitamin D3 analogues with A-ring modifications. J Med Chem 52: 6158-62 (2009)
- Radi, M; Tintori, C; Musumeci, F; Brullo, C; Zamperini, C; Dreassi, E; Fallacara, AL; Vignaroli, G; Crespan, E; Zanoli, S; Laurenzana, I; Filippi, I; Maga, G; Schenone, S; Angelucci, A; Botta, M Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem 56: 5382-94 (2014)
- Umei, K; Nishigaya, Y; Tatani, K; Kohno, Y; Tanaka, N; Seto, S Identification of novel 1,2,3,6-tetrahydropyridyl-substituted benzo[d]thiazoles: Lead generation and optimization toward potent and orally active EP Bioorg Med Chem 25: 3406-3430 (2017)
- Zhang, P; Terefenko, EA; Fensome, A; Wrobel, J; Winneker, R; Zhang, Z Novel 6-aryl-1,4-dihydrobenzo[d]oxazine-2-thiones as potent, selective, and orally active nonsteroidal progesterone receptor agonists. Bioorg Med Chem Lett 13: 1313-6 (2003)
- Carceller, E; Almansa, C; Merlos, M; Giral, M; Bartrolí, J; García-Rafanell, J; Forn, J (Pyridylcyanomethyl)piperazines as orally active PAF antagonists. J Med Chem 35: 4118-34 (1992)
- González Cabrera, D; Le Manach, C; Douelle, F; Younis, Y; Feng, TS; Paquet, T; Nchinda, AT; Street, LJ; Taylor, D; de Kock, C; Wiesner, L; Duffy, S; White, KL; Zabiulla, KM; Sambandan, Y; Bashyam, S; Waterson, D; Witty, MJ; Charman, SA; Avery, VM; Wittlin, S; Chibale, K 2,4-Diaminothienopyrimidines as orally active antimalarial agents. J Med Chem 57: 1014-22 (2014)
- Zjawiony, JK Biologically active compounds from Aphyllophorales (polypore) fungi. J Nat Prod 67: 300-10 (2004)
- Jiang, W; Li, W; Han, L; Liu, L; Zhang, Q; Zhang, S; Nikaido, T; Koike, K Biologically active triterpenoid saponins from Acanthopanax senticosus. J Nat Prod 69: 1577-81 (2006)
- Makarov, V; Salina, E; Reynolds, RC; Kyaw Zin, PP; Ekins, S Molecule Property Analyses of Active Compounds for J Med Chem 63: 8917-8955 (2020)
- Moure, AL; Narula, G; Sorrentino, F; Bojang, A; Tsui, CKM; Sao Emani, C; Porras-De Francisco, E; Díaz, B; Rebollo-López, MJ; Torres-Gómez, PA; López-Román, EM; Camino, I; Casado Castro, P; Guijarro López, L; Ortega, F; Ballell, L; Barros-Aguirre, D; Remuiñán Blanco, M; Av-Gay, Y MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against J Med Chem 63: 4732-4748 (2020)
- Guerlavais, V; Boeglin, D; Mousseaux, D; Oiry, C; Heitz, A; Deghenghi, R; Locatelli, V; Torsello, A; Ghé, C; Catapano, F; Muccioli, G; Galleyrand, JC; Fehrentz, JA; Martinez, J New active series of growth hormone secretagogues. J Med Chem 46: 1191-203 (2003)
- Kamioka, S; Shimada, N; Hirose, W; Ban, H; Yokoyama, A Optically active crosslinked cyclic secondary amine derivative US Patent US11325921 (2022)
- Ochiai, H; Ohtani, T; Ishida, A; Kishikawa, K; Obata, T; Nakai, H; Toda, M Orally active PDE4 inhibitors with therapeutic potential. Bioorg Med Chem Lett 14: 1323-7 (2004)
- Hulme, C; Mathew, R; Moriarty, K; Miller, B; Ramanjulu, M; Cox, P; Souness, J; Page, KM; Uhl, J; Travis, J; Labaudiniere, R; Huang, F; Djuric, SW Orally active indole N-oxide PDE4 inhibitors. Bioorg Med Chem Lett 8: 3053-8 (1998)
- Halland, N; Blum, H; Buning, C; Kohlmann, M; Lindenschmidt, A Small Macrocycles As Highly Active Integrinα2β1 Antagonists. ACS Med Chem Lett 5: 193-8 (2014)
- Lefever, M; Li, Y; Anglin, B; Muthu, D; Giuvelis, D; Lowery, JJ; Knapp, BI; Bidlack, JM; Bilsky, EJ; Polt, R Structural Requirements for CNS Active Opioid Glycopeptides. J Med Chem 58: 5728-41 (2015)
- Baska, F; Kéri, G; Orfi, L; Bánhegyi, P; Kékesi, L; Zsákai, L; Sipos, A; Szántai-kis, C; Dobos, J; Den Blaauwen, T Styryl quinazoline derivatives as pharmaceutically active agents US Patent US9951029 (2018)
- Lombardi Borgia, A; Ciomei, M; Donati, D; Nesi, M Substituted indazole derivatives active as kinase inhibitiors US Patent US10028934 (2018)
- Lombardi Borgia, A; Ciomei, M; Donati, D; Nesi, M Substituted indazole derivatives active as kinase inhibitors US Patent US9408850 (2016)
- Higgins, MA; Marcin, LR; Christopher Zusi, F; Gentles, R; Ding, M; Pearce, BC; Easton, A; Kostich, WA; Seager, MA; Bourin, C; Bristow, LJ; Johnson, KA; Miller, R; Hogan, J; Whiterock, V; Gulianello, M; Ferrante, M; Huang, Y; Hendricson, A; Alt, A; Macor, JE; Bronson, JJ Triazolopyridine ethers as potent, orally active mGlu Bioorg Med Chem 25: 496-513 (2017)
- Carotenuto, A; Grieco, P; Campiglia, P; Novellino, E; Rovero, P Unraveling the active conformation of urotensin II. J Med Chem 47: 1652-61 (2004)
- Miyazaki, Y; Tang, J; Maeda, Y; Nakano, M; Wang, L; Nolte, RT; Sato, H; Sugai, M; Okamoto, Y; Truesdale, AT; Hassler, DF; Nartey, EN; Patrick, DR; Ho, ML; Ozawa, K Orally active 4-amino-5-diarylurea-furo[2,3-d]pyrimidine derivatives as anti-angiogenic agent inhibiting VEGFR2 and Tie-2. Bioorg Med Chem Lett 17: 1773-8 (2007)
- Chen, YL; Mansbach, RS; Winter, SM; Brooks, E; Collins, J; Corman, ML; Dunaiskis, AR; Faraci, WS; Gallaschun, RJ; Schmidt, A; Schulz, DW Synthesis and oral efficacy of a 4-(butylethylamino)pyrrolo[2,3-d]pyrimidine: a centrally active corticotropin-releasing factor1 receptor antagonist. J Med Chem 40: 1749-54 (1997)
- Salehian, F; Nadri, H; Jalili-Baleh, L; Youseftabar-Miri, L; Abbas Bukhari, SN; Foroumadi, A; Tüylü Küçükkilinç, T; Sharifzadeh, M; Khoobi, M A review: Biologically active 3,4-heterocycle-fused coumarins. Eur J Med Chem 212: (2021)
- Chen, W; Yuan, X; Li, Z; Lu, Z; Kong, S; Jiang, H; Du, H; Pan, X; Nandi, M; Kong, X; Brown, K; Liu, Z; Zhang, G; Hider, RC; Yu, Y CN128: A New Orally Active Hydroxypyridinone Iron Chelator. J Med Chem 63: 4215-4226 (2020)
- Kang, X; Long, W; Ma, C; Wang, Y; Shen, X; Hu, Y; Tan, F; Wang, Y Compound for increasing kinase active and application thereof US Patent US9409900 (2016)
- Velcicky, J; Mathison, CJN; Nikulin, V; Pflieger, D; Epple, R; Azimioara, M; Cow, C; Michellys, PY; Rigollier, P; Beisner, DR; Bodendorf, U; Guerini, D; Liu, B; Wen, B; Zaharevitz, S; Brandl, T Discovery of Orally Active Hydroxyethylamine Based SPPL2a Inhibitors. ACS Med Chem Lett 10: 887-892 (2019)
- Yeh, VS; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Shapiro, R; Knourek-Segel, V; Bush, E; Wilcox, D; Nguyen, PT; Brune, M; Jacobson, P; Link, JT Discovery of orally active butyrolactam 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16: 5555-60 (2006)
- Torisu, K; Kobayashi, K; Iwahashi, M; Nakai, Y; Onoda, T; Nagase, T; Sugimoto, I; Okada, Y; Matsumoto, R; Nanbu, F; Ohuchida, S; Nakai, H; Toda, M Discovery of orally active prostaglandin D2 receptor antagonists. Bioorg Med Chem Lett 14: 4891-5 (2004)
- Li, Y; Raushel, FM Inhibitors designed for the active site of dihydroorotase. Bioorg Chem 33: 470-83 (2005)
- Ochiai, H; Ishida, A; Ohtani, T; Kusumi, K; Kishikawa, K; Obata, T; Nakai, H; Toda, M New orally active PDE4 inhibitors with therapeutic potential. Bioorg Med Chem Lett 14: 29-32 (2004)
- Ma, B; Guckian, KM; Liu, XG; Yang, C; Li, B; Scannevin, R; Mingueneau, M; Drouillard, A; Walzer, T Novel Potent Selective Orally Active S1P5 Receptor Antagonists. ACS Med Chem Lett 12: 351-355 (2021)
- Peters, JU; Galley, G; Jacobsen, H; Czech, C; David-Pierson, P; Kitas, EA; Ozmen, L Novel orally active, dibenzazepinone-based gamma-secretase inhibitors. Bioorg Med Chem Lett 17: 5918-23 (2007)
- Summers, JB; Gunn, BP; Martin, JG; Mazdiyasni, H; Stewart, AO; Young, PR; Goetze, AM; Bouska, JB; Dyer, RD; Brooks, DW Orally active hydroxamic acid inhibitors of leukotriene biosynthesis. J Med Chem 31: 3-5 (1988)
- Chapman, KT; Durette, PL; Caldwell, CG; Sperow, KM; Niedzwiecki, LM; Harrison, RK; Saphos, C; Christen, AJ; Olszewski, JM; Moore, VL; MacCoss, M; Hagmann, WK Orally active inhibitors of stromelysin-1 (MMP-3) Bioorg Med Chem Lett 6: 803-806 (1996)
- Morgan, RK; Kirby, IT; Vermehren-Schmaedick, A; Rodriguez, K; Cohen, MS Rational Design of Cell-Active Inhibitors of PARP10. ACS Med Chem Lett 10: 74-79 (2019)
- Lee, J; Yin, F; Bogyo, MS; Edgington, LE Specific inhibitors and active site probes for legumain US Patent US9345789 (2016)
- Popovici-Muller, J; Lemieux, RM; Travins, J; Cai, Z; Cui, D; Zhou, D Therapeutically active compositions and their methods of use US Patent US9850277 (2017)
- Konteatis, ZD; Popovici-Muller, J; Travins, JM; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent US10028961 (2018)
- Witte, MD; Kallemeijn, WW; Aten, J; Li, KY; Strijland, A; Donker-Koopman, WE; van den Nieuwendijk, AM; Bleijlevens, B; Kramer, G; Florea, BI; Hooibrink, B; Hollak, CE; Ottenhoff, R; Boot, RG; van der Marel, GA; Overkleeft, HS; Aerts, JM Ultrasensitive in situ visualization of active glucocerebrosidase molecules. Nat Chem Biol 6: 907-13 (2010)
- Das, J; Kimball, SD; Hall, SE; Han, WC; Iwanowicz, E; Lin, J; Moquin, RV; Reid, JA; Sack, JS; Malley, MF; Chang, CY; Chong, S; Wang-Iverson, DB; Roberts, DG; Seiler, SM; Schumacher, WA; Ogletree, ML Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Bioorg Med Chem Lett 12: 45-9 (2001)
- Korytnyk, W; Potti, PG 4-Halovinyl- and 4-ethynyl-4-deformylpyridoxal derivatives and related analogues as potentially irreversible antagonists of vitamin B6. J Med Chem 20: 567-72 (1977)
- Hammed, A; Matagrin, B; Spohn, G; Prouillac, C; Benoit, E; Lattard, V VKORC1L1, an enzyme rescuing the vitamin K 2,3-epoxide reductase activity in some extrahepatic tissues during anticoagulation therapy. J Biol Chem 288: 28733-42 (2013)
- Labelle, M; Belley, M; Gareau, Y; Gauthier, JY; Guay, D; Gordon, R; Grossman, SG; Jones, TR; Leblanc, Y; McAuliffe, M; McFarlane, C; Masson, P; Metters, KM; Ouimet, N; Patrick, DH; Piechuta, H; Rochette, C; Sawyer, N; Xiang, YB; Pickett, CB Discovery of MK-0476, a potent and orally active leukotriene D4 receptor antagonist devoid of peroxisomal enxyme induction Bioorg Med Chem Lett 5: 283-288 (1995)
- Kawai, M; Nakamura, H; Sakurada, I; Shimokawa, H; Tanaka, H; Matsumizu, M; Ando, K; Hattori, K; Ohta, A; Nukui, S; Omura, A; Kawamura, M Discovery of novel and orally active NR2B-selective N-methyl-D-aspartate (NMDA) antagonists, pyridinol derivatives with reduced HERG binding affinity. Bioorg Med Chem Lett 17: 5533-6 (2007)
- Abe, Y; Kayakiri, H; Satoh, S; Inoue, T; Sawada, Y; Inamura, N; Asano, M; Aramori, I; Hatori, C; Sawai, H; Oku, T; Tanaka, H A novel class of orally active non-peptide bradykinin B2 receptor antagonists. 4. Discovery of novel frameworks mimicking the active conformation. J Med Chem 41: 4587-98 (1998)
- Nakahara, K; Fuchino, K; Komano, K; Asada, N; Tadano, G; Hasegawa, T; Yamamoto, T; Sako, Y; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine β-Secretase (BACE1) Inhibitors via Active Conformation Stabilization. J Med Chem 61: 5525-5546 (2018)
- Radi, M; Dreassi, E; Brullo, C; Crespan, E; Tintori, C; Bernardo, V; Valoti, M; Zamperini, C; Daigl, H; Musumeci, F; Carraro, F; Naldini, A; Filippi, I; Maga, G; Schenone, S; Botta, M Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem 54: 2610-26 (2011)
- Li, JJ; Nahra, J; Johnson, AR; Bunker, A; O'Brien, P; Yue, WS; Ortwine, DF; Man, CF; Baragi, V; Kilgore, K; Dyer, RD; Han, HK Quinazolinones and pyrido[3,4-d]pyrimidin-4-ones as orally active and specific matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. J Med Chem 51: 835-41 (2008)
- Exploring 2-methyl-substituted vitamin K3 derivatives with potent inhibitory activity against the 3CL protease of SARS-CoV-2.
- Egbertson, MS; Moritz, HM; Melamed, JY; Han, W; Perlow, DS; Kuo, MS; Embrey, M; Vacca, JP; Zrada, MM; Cortes, AR; Wallace, A; Leonard, Y; Hazuda, DJ; Miller, MD; Felock, PJ; Stillmock, KA; Witmer, MV; Schleif, W; Gabryelski, LJ; Moyer, G; Ellis, JD; Jin, L; Xu, W; Braun, MP; Kassahun, K; Tsou, NN; Young, SD A potent and orally active HIV-1 integrase inhibitor. Bioorg Med Chem Lett 17: 1392-8 (2007)
- Sotriffer, CA; Ni, H; McCammon, JA Active site binding modes of HIV-1 integrase inhibitors. J Med Chem 43: 4109-17 (2000)
- Hameed P, S; Chinnapattu, M; Shanbag, G; Manjrekar, P; Koushik, K; Raichurkar, A; Patil, V; Jatheendranath, S; Rudrapatna, SS; Barde, SP; Rautela, N; Awasthy, D; Morayya, S; Narayan, C; Kavanagh, S; Saralaya, R; Bharath, S; Viswanath, P; Mukherjee, K; Bandodkar, B; Srivastava, A; Panduga, V; Reddy, J; Prabhakar, KR; Sinha, A; Jiménez-Díaz, MB; Martínez, MS; Angulo-Barturen, I; Ferrer, S; Sanz, LM; Gamo, FJ; Duffy, S; Avery, VM; Magistrado, PA; Lukens, AK; Wirth, DF; Waterson, D; Balasubramanian, V; Iyer, PS; Narayanan, S; Hosagrahara, V; Sambandamurthy, VK; Ramachandran, S Aminoazabenzimidazoles, a novel class of orally active antimalarial agents. J Med Chem 57: 5702-13 (2014)
- Wang, T; Gately, S; Gonzales, P Benzamide and active compound compositions and methods of use US Patent US12076401 (2024)
- Abe, T; Okue, M; Sakamaki, Y Compounds useful for producing an optically active diazabicyclooctane compound US Patent US9676777 (2017)
- Kim, HR; Tagirasa, R; Yoo, E Covalent Small Molecule Immunomodulators Targeting the Protease Active Site. J Med Chem 64: 5291-5322 (2021)
- Lampe, JW; Watson, PS; Slade, DJ; Peterson, WM; Crean, CS; Vittitow, JL; DeCamp, JB; Pelz, NF Cytoskeletal active rho kinase inhibitor compounds, composition and use US Patent US8604218 (2013)
- Iwahashi, M; Naganawa, A; Kinoshita, A; Shimabukuro, A; Nishiyama, T; Ogawa, S; Matsunaga, Y; Tsukamoto, K; Okada, Y; Matsumoto, R; Nambu, F; Oumi, R; Odagaki, Y; Katagi, J; Yano, K; Tani, K; Nakai, H; Toda, M Discovery of new orally active prostaglandin D2 receptor antagonists. Bioorg Med Chem 19: 6935-48 (2011)
- Bernstein, PR; Aharony, D; Albert, JS; Andisik, D; Barthlow, HG; Bialecki, R; Davenport, T; Dedinas, RF; Dembofsky, BT; Koether, G; Kosmider, BJ; Kirkland, K; Ohnmacht, CJ; Potts, W; Rumsey, WL; Shen, L; Shenvi, A; Sherwood, S; Stollman, D; Russell, K Discovery of novel, orally active dual NK1/NK2 antagonists. Bioorg Med Chem Lett 11: 2769-73 (2001)
- Kim, RM; Chang, J; Lins, AR; Brady, E; Candelore, MR; Dallas-Yang, Q; Ding, V; Dragovic, J; Iliff, S; Jiang, G; Mock, S; Qureshi, S; Saperstein, R; Szalkowski, D; Tamvakopoulos, C; Tota, L; Wright, M; Yang, X; Tata, JR; Chapman, K; Zhang, BB; Parmee, ER Discovery of potent, orally active benzimidazole glucagon receptor antagonists. Bioorg Med Chem Lett 18: 3701-5 (2008)
- Hogenkamp, DJ; Johnstone, TB; Huang, JC; Li, WY; Tran, M; Whittemore, ER; Bagnera, RE; Gee, KW Enaminone amides as novel orally active GABAA receptor modulators. J Med Chem 50: 3369-79 (2007)
- Deshpande, M; Wiles, JA; Hashimoto, A; Phadke, A Highly active nucleoside derivative for the treatment of HCV US Patent US9447132 (2016)
- Weber, AE; Steiner, MG; Krieter, PA; Colletti, AE; Tata, JR; Halgren, TA; Ball, RG; Doyle, JJ; Schorn, TW; Stearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem 35: 3755-73 (1992)
- Malamas, MS; Ni, Y; Erdei, J; Stange, H; Schindler, R; Lankau, HJ; Grunwald, C; Fan, KY; Parris, K; Langen, B; Egerland, U; Hage, T; Marquis, KL; Grauer, S; Brennan, J; Navarra, R; Graf, R; Harrison, BL; Robichaud, A; Kronbach, T; Pangalos, MN; Hoefgen, N; Brandon, NJ Highly potent, selective, and orally active phosphodiesterase 10A inhibitors. J Med Chem 54: 7621-38 (2011)
- Ratcliffe, P; Maclean, J; Abernethy, L; Clarkson, T; Dempster, M; Easson, AM; Edwards, D; Everett, K; Feilden, H; Littlewood, P; McArthur, D; McGregor, D; McLuskey, H; Nimz, O; Nisbet, LA; Palin, R; Tracey, H; Walker, G Identification of potent, soluble, and orally active TRPV1 antagonists. Bioorg Med Chem Lett 21: 2559-63 (2011)
- Devadas, B; Freeman, SK; McWherter, CA; Kishore, NS; Lodge, JK; Jackson-Machelski, E; Gordon, JI; Sikorski, JA Novel biologically active nonpeptidic inhibitors of myristoylCoA:protein N-myristoyltransferase. J Med Chem 41: 996-1000 (1998)
- Umei, K; Nishigaya, Y; Kondo, A; Tatani, K; Tanaka, N; Kohno, Y; Seto, S Novel pyrazolo[1,5-a]pyridines as orally active EP Bioorg Med Chem 25: 2635-2642 (2017)
- Raffa, RB; Beckett, JR; Brahmbhatt, VN; Ebinger, TM; Fabian, CA; Nixon, JR; Orlando, ST; Rana, CA; Tejani, AH; Tomazic, RJ Orally active opioid compounds from a non-poppy source. J Med Chem 56: 4840-8 (2013)
- Veale, CA; Bernstein, PR; Bohnert, CM; Brown, FJ; Bryant, C; Damewood, JR; Earley, R; Feeney, SW; Edwards, PD; Gomes, B; Hulsizer, JM; Kosmider, BJ; Krell, RD; Moore, G; Salcedo, TW; Shaw, A; Silberstein, DS; Steelman, GB; Stein, M; Strimpler, A; Thomas, RM; Vacek, EP; Williams, JC; Wolanin, DJ; Woolson, S Orally active trifluoromethyl ketone inhibitors of human leukocyte elastase. J Med Chem 40: 3173-81 (1997)
- Hunt, JT; Lee, VG; Leftheris, K; Seizinger, B; Carboni, J; Mabus, J; Ricca, C; Yan, N; Manne, V Potent, cell active, non-thiol tetrapeptide inhibitors of farnesyltransferase. J Med Chem 39: 353-8 (1996)
- Lerchen, H; Rebstock, A; Marx, L; Johannes, SA; Stelte-Ludwig, B; Dietz, L; Joerissen, H; Mahlert, C; Greven, S; Sommer, A Prodrugs of cytotoxic active agents having enzymatically cleavable groups US Patent US12059472 (2024)
- Satoh, Y; Stanton, JL; Hutchison, AJ; Libby, AH; Kowalski, TJ; Lee, WH; White, DH; Kimble, EF Substituted chromenes as potent, orally active 5-lipoxygenase inhibitors. J Med Chem 36: 3580-94 (1994)
- Zwick, V; Simões-Pires, CA; Nurisso, A; Petit, C; Dos Santos Passos, C; Randazzo, GM; Martinet, N; Bertrand, P; Cuendet, M Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Bioorg Med Chem Lett 26: 4955-4959 (2016)
- Davidsen, SK; Summers, JB; Sweeny, DJ; Holms, JH; Albert, DH; Carrera, GM; Tapang, P; Magoc, TJ; Conway, RG; Rhein, DA Synthesis of active metabolites of indole pyrrolothiazole paf antagonists Bioorg Med Chem Lett 5: 2909-2912 (1995)
- Pilla, M; Andreoli, M; Tessari, M; Delle-Fratte, S; Roth, A; Butler, S; Brown, F; Shah, P; Bettini, E; Cavallini, P; Benedetti, R; Minick, D; Smith, P; Tehan, B; D'Alessandro, P; Lorthioir, O; Ball, C; Garzya, V; Goodacre, C; Watson, S The identification of novel orally active mGluR5 antagonist GSK2210875. Bioorg Med Chem Lett 20: 7521-4 (2010)
- Edwards, JP; West, SJ; Marschke, KB; Mais, DE; Gottardis, MM; Jones, TK 5-Aryl-1,2-dihydro-5H-chromeno[3,4-f]quinolines as potent, orally active, nonsteroidal progesterone receptor agonists: the effect of D-ring substituents. J Med Chem 41: 303-10 (1998)
- Zhang, P; Terefenko, EA; Fensome, A; Wrobel, J; Winneker, R; Lundeen, S; Marschke, KB; Zhang, Z 6-Aryl-1,4-dihydro-benzo[d][1,3]oxazin- 2-ones: a novel class of potent, selective, and orally active nonsteroidal progesterone receptor antagonists. J Med Chem 45: 4379-82 (2002)
- El-Moghazy, SM; George, RF; Osman, EEA; Elbatrawy, AA; Kissova, M; Colombo, A; Crespan, E; Maga, G Novel pyrazolo[3,4-d]pyrimidines as dual Src-Abl inhibitors active against mutant form of Abl and the leukemia K-562 cell line. Eur J Med Chem 123: 1-13 (2016)
- Hutchinson, JH; Riendeau, D; Brideau, C; Chan, C; Delorme, D; Denis, D; Falgueyret, JP; Fortin, R; Guay, J; Hamel, P Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816. J Med Chem 36: 2771-87 (1993)
- Adelt, S; Plettenburg, O; Stricker, R; Reiser, G; Altenbach, HJ; Vogel, G Enzyme-assisted total synthesis of the optical antipodes D-myo-inositol 3,4,5-trisphosphate and D-myo-inositol 1,5, 6-trisphosphate: aspects of their structure-activity relationship to biologically active inositol phosphates. J Med Chem 42: 1262-73 (1999)
- Black, WC; Brideau, C; Chan, CC; Charleson, S; Chauret, N; Claveau, D; Ethier, D; Gordon, R; Greig, G; Guay, J; Hughes, G; Jolicoeur, P; Leblanc, Y; Nicoll-Griffith, D; Ouimet, N; Riendeau, D; Visco, D; Wang, Z; Xu, L; Prasit, P 2,3-Diarylcyclopentenones as orally active, highly selective cyclooxygenase-2 inhibitors. J Med Chem 42: 1274-81 (1999)
- Jackson, WP; Islip, PJ; Kneen, G; Pugh, A; Wates, PJ Acetohydroxamic acids as potent, selective, orally active 5-lipoxygenase inhibitors. J Med Chem 31: 499-500 (1988)
- Haviv, F; Palabrica, CA; Bush, EN; Diaz, G; Johnson, ES; Love, S; Greer, J Active reduced-size hexapeptide analogues of luteinizing hormone-releasing hormone. J Med Chem 32: 2340-4 (1989)
- Wright, GE; Brown, NC; Xu, WC; Long, ZY; Zhi, C; Gambino, JJ; Barnes, MH; Butler, MM Active site directed inhibitors of replication-specific bacterial DNA polymerases. Bioorg Med Chem Lett 15: 729-32 (2005)
- Hidaka, K; Gohda, K; Teno, N; Wanaka, K; Tsuda, Y Active site-directed plasmin inhibitors: Extension on the P2 residue. Bioorg Med Chem 24: 545-53 (2016)
- Active site-directed probes targeting dipeptidyl peptidases 8 and 9.
- Schmidt, B; Schieffer, B Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites. J Med Chem 46: 2261-70 (2003)
- Büttelmann, B; Peters, JU; Ceccarelli, S; Kolczewski, S; Vieira, E; Prinssen, EP; Spooren, W; Schuler, F; Huwyler, J; Porter, RH; Jaeschke, G Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists. Bioorg Med Chem Lett 16: 1892-7 (2006)
- Abet, V; Mariani, A; Truscott, FR; Britton, S; Rodriguez, R Biased and unbiased strategies to identify biologically active small molecules. Bioorg Med Chem 22: 4474-89 (2014)
- Shi, LS; Chao, CH; Shen, DY; Chan, HH; Chen, CH; Liao, YR; Wu, SJ; Leu, YL; Shen, YC; Kuo, YH; Lee, EJ; Qian, K; Wu, TS; Lee, KH Biologically active constituents from the fruiting body of Taiwanofungus camphoratus. Bioorg Med Chem 19: 677-83 (2011)
- Schmitz, J; Gilberg, E; Löser, R; Bajorath, J; Bartz, U; Gütschow, M Cathepsin B: Active site mapping with peptidic substrates and inhibitors. Bioorg Med Chem 27: 1-15 (2019)
- Dana, D; Davalos, AR; De, S; Rathod, P; Gamage, RK; Huestis, J; Afzal, N; Zavlanov, Y; Paroly, SS; Rotenberg, SA; Subramaniam, G; Mark, KJ; Chang, EJ; Kumar, S Development of cell-active non-peptidyl inhibitors of cysteine cathepsins. Bioorg Med Chem 21: 2975-87 (2013)
- Ohmoto, K; Yamamoto, T; Okuma, M; Horiuchi, T; Imanishi, H; Odagaki, Y; Kawabata, K; Sekioka, T; Hirota, Y; Matsuoka, S; Nakai, H; Toda, M; Cheronis, JC; Spruce, LW; Gyorkos, A; Wieczorek, M Development of orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem 44: 1268-85 (2001)
- McKinnell, RM; Fatheree, P; Choi, SK; Gendron, R; Jendza, K; Olson Blair, B; Budman, J; Hill, CM; Hegde, LG; Yu, C; McConn, D; Hegde, SS; Marquess, DG; Klein, U Discovery of TD-0212, an Orally Active Dual Pharmacology AT ACS Med Chem Lett 10: 86-91 (2019)
- Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor.
- Stilz, HU; Jablonka, B; Just, M; Knolle, J; Paulus, EF; Zoller, G Discovery of an orally active non-peptide fibrinogen receptor antagonist. J Med Chem 39: 2118-22 (1996)
- Li, G; Stamford, AW; Huang, Y; Cheng, KC; Cook, J; Farley, C; Gao, J; Ghibaudi, L; Greenlee, WJ; Guzzi, M; van Heek, M; Hwa, JJ; Kelly, J; Mullins, D; Parker, EM; Wainhaus, S; Zhang, X Discovery of novel orally active ureido NPY Y5 receptor antagonists. Bioorg Med Chem Lett 18: 1146-50 (2008)
- Washburn, DG; Hoang, TH; Frazee, JS; Johnson, L; Hammond, M; Manns, S; Madauss, KP; Williams, SP; Duraiswami, C; Tran, TB; Stewart, EL; Grygielko, ET; Glace, LE; Trizna, W; Nagilla, R; Bray, JD; Thompson, SK Discovery of orally active, pyrrolidinone-based progesterone receptor partial agonists. Bioorg Med Chem Lett 19: 4664-8 (2009)
- Tsukada, T; Kanno, O; Yamane, T; Tanaka, J; Yoshida, T; Okuno, A; Shiiki, T; Takahashi, M; Nishi, T Discovery of potent and orally active tricyclic-based FBPase inhibitors. Bioorg Med Chem 18: 5346-51 (2010)
- Gommermann, N; Buehlmayer, P; von Matt, A; Breitenstein, W; Masuya, K; Pirard, B; Furet, P; Cowan-Jacob, SW; Weckbecker, G New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck. Bioorg Med Chem Lett 20: 3628-31 (2010)
- Friesen, RW; Dubé, D; Fortin, R; Frenette, R; Prescott, S; Cromlish, W; Greig, GM; Kargman, S; Wong, E; Chan, CC; Gordon, R; Xu, LJ; Riendeau, D Novel 1,2-diarylcyclobutenes: Selective and orally active cox-2 inhibitors Bioorg Med Chem Lett 6: 2677-2682 (1996)
- Abe, T; Okue, M; Sakamaki, Y Optically active diazabicyclooctane derivatives and process for preparing the same US Patent US8772490 (2014)
- Hebeisen, P; Haap, W; Kuhn, B; Mohr, P; Wessel, HP; Zutter, U; Kirchner, S; Ruf, A; Benz, J; Joseph, C; Alvarez-Sánchez, R; Gubler, M; Schott, B; Benardeau, A; Tozzo, E; Kitas, E Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase. Bioorg Med Chem Lett 21: 3237-42 (2011)
- Ali, FE; Bondinell, WE; Dandridge, PA; Frazee, JS; Garvey, E; Girard, GR; Kaiser, C; Ku, TW; Lafferty, JJ; Moonsammy, GI Orally active and potent inhibitors of gamma-aminobutyric acid uptake. J Med Chem 28: 653-60 (1985)
- Gordon, T; Hansen, P; Morgan, B; Singh, J; Baizman, E; Ward, S Peptide azoles: A new class of biologically-active dipeptide mmetics. Bioorg Med Chem Lett 3: 915-920 (1993)
- Rosen, KM; Abbinanti, MD; Ruschel, J; McKerracher, L; Bond Moritz, L Rho kinase inhibitor BA-1049 (R) and active metabolites thereof US Patent US11198680 (2021)
- Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Spirodiketopiperazine-based CCR5 antagonists: Lead optimization from biologically active metabolite. Bioorg Med Chem Lett 17: 727-31 (2007)
- Ma, B; Guckian, KM; Lin, EY; Lee, WC; Scott, D; Kumaravel, G; Macdonald, TL; Lynch, KR; Black, C; Chollate, S; Hahm, K; Hetu, G; Jin, P; Luo, Y; Rohde, E; Rossomando, A; Scannevin, R; Wang, J; Yang, C Stereochemistry-activity relationship of orally active tetralin S1P agonist prodrugs. Bioorg Med Chem Lett 20: 2264-9 (2010)
- Mambwe, D; Kumar, M; Ferger, R; Taylor, D; Njoroge, M; Coertzen, D; Reader, J; van der Watt, M; Birkholtz, LM; Chibale, K Structure-Activity Relationship Studies Reveal New Astemizole Analogues Active against ACS Med Chem Lett 12: 1333-1341 (2021)
- Tomita, N; Hayashi, Y; Suzuki, S; Oomori, Y; Aramaki, Y; Matsushita, Y; Iwatani, M; Iwata, H; Okabe, A; Awazu, Y; Isono, O; Skene, RJ; Hosfield, DJ; Miki, H; Kawamoto, T; Hori, A; Baba, A Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg Med Chem Lett 23: 1779-85 (2013)
- Harrington, PE; Bourbeau, MP; Fotsch, C; Frohn, M; Pickrell, AJ; Reichelt, A; Sham, K; Siegmund, AC; Bailis, JM; Bush, T; Escobar, S; Hickman, D; Heller, S; Hsieh, F; Orf, JN; Rong, M; San Miguel, T; Tan, H; Zalameda, L; Allen, JG The optimization of aminooxadiazoles as orally active inhibitors of Cdc7. Bioorg Med Chem Lett 23: 6396-400 (2013)
- Sofia, MJ; Floreancig, P; Bach, NJ; Baker, SR; Cockerham, SL; Fleisch, JH; Froelich, LL; Jackson, WT; Marder, P; Roman, CR o-phenylphenols: potent and orally active leukotriene B4 receptor antagonists. J Med Chem 36: 3978-81 (1993)
- Brough, PA; Barril, X; Borgognoni, J; Chene, P; Davies, NG; Davis, B; Drysdale, MJ; Dymock, B; Eccles, SA; Garcia-Echeverria, C; Fromont, C; Hayes, A; Hubbard, RE; Jordan, AM; Jensen, MR; Massey, A; Merrett, A; Padfield, A; Parsons, R; Radimerski, T; Raynaud, FI; Robertson, A; Roughley, SD; Schoepfer, J; Simmonite, H; Sharp, SY; Surgenor, A; Valenti, M; Walls, S; Webb, P; Wood, M; Workman, P; Wright, L 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. J Med Chem 52: 4794-809 (2009)
- Pitzele, BS; Hamilton, RW; Kudla, KD; Tsymbalov, S; Stapelfeld, A; Savage, MA; Clare, M; Hammond, DL; Hansen, DW Enkephalin analogs as systemically active antinociceptive agents: O- and N-alkylated derivatives of the dipeptide amide L-2,6-dimethyltyrosyl-N-(3-phenylpropyl)-D-alaninamide. J Med Chem 37: 888-96 (1994)
- Shi, JB; Chen, LZ; Wang, BS; Huang, X; Jiao, MM; Liu, MM; Tang, WJ; Liu, XH Novel Pyrazolo[4,3- d]pyrimidine as Potent and Orally Active Inducible Nitric Oxide Synthase (iNOS) Dimerization Inhibitor with Efficacy in Rheumatoid Arthritis Mouse Model. J Med Chem 62: 4013-4031 (2019)
- Tintori, C; Fallacara, AL; Radi, M; Zamperini, C; Dreassi, E; Crespan, E; Maga, G; Schenone, S; Musumeci, F; Brullo, C; Richters, A; Gasparrini, F; Angelucci, A; Festuccia, C; Delle Monache, S; Rauh, D; Botta, M Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem 58: 347-61 (2015)
- McHardy, T; Caldwell, JJ; Cheung, KM; Hunter, LJ; Taylor, K; Rowlands, M; Ruddle, R; Henley, A; de Haven Brandon, A; Valenti, M; Davies, TG; Fazal, L; Seavers, L; Raynaud, FI; Eccles, SA; Aherne, GW; Garrett, MD; Collins, I Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). J Med Chem 53: 2239-49 (2010)
- Lee, CH; Jiang, M; Cowart, M; Gfesser, G; Perner, R; Kim, KH; Gu, YG; Williams, M; Jarvis, MF; Kowaluk, EA; Stewart, AO; Bhagwat, SS Discovery of 4-amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)pyrido[2,3-d]pyrimidine, an orally active, non-nucleoside adenosine kinase inhibitor.. J Med Chem 44: 2133-8 (2001)
- Huang, L; Li, H; Li, L; Niu, L; Seupel, R; Wu, C; Cheng, W; Chen, C; Ding, B; Brennan, PE; Yang, S Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain. J Med Chem 62: 4526-4542 (2019)
- Fallacara, AL; Passannanti, R; Mori, M; Iovenitti, G; Musumeci, F; Greco, C; Crespan, E; Kissova, M; Maga, G; Tarantelli, C; Spriano, F; Gaudio, E; Bertoni, F; Botta, M; Schenone, S Identification of a new family of pyrazolo[3,4-d]pyrimidine derivatives as multitarget Fyn-Blk-Lyn inhibitors active on B- and T-lymphoma cell lines. Eur J Med Chem 181: (2019)
- Hakamata, W; Sato, Y; Okuda, H; Honzawa, S; Saito, N; Kishimoto, S; Yamashita, A; Sugiura, T; Kittaka, A; Kurihara, M (2S,2'R)-analogue of LG190178 is a major active isomer. Bioorg Med Chem Lett 18: 120-3 (2008)
- Liu, KK; Bagrodia, S; Bailey, S; Cheng, H; Chen, H; Gao, L; Greasley, S; Hoffman, JE; Hu, Q; Johnson, TO; Knighton, D; Liu, Z; Marx, MA; Nambu, MD; Ninkovic, S; Pascual, B; Rafidi, K; Rodgers, CM; Smith, GL; Sun, S; Wang, H; Yang, A; Yuan, J; Zou, A 4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors. Bioorg Med Chem Lett 20: 6096-9 (2010)
- Churcher, I; Beher, D; Best, JD; Castro, JL; Clarke, EE; Gentry, A; Harrison, T; Hitzel, L; Kay, E; Kerrad, S; Lewis, HD; Morentin-Gutierrez, P; Mortishire-Smith, R; Oakley, PJ; Reilly, M; Shaw, DE; Shearman, MS; Teall, MR; Williams, S; Wrigley, JD 4-substituted cyclohexyl sulfones as potent, orally active gamma-secretase inhibitors. Bioorg Med Chem Lett 16: 280-4 (2006)
- Resch, M; Steigel, A; Chen, ZL; Bauer, R 5-Lipoxygenase and cyclooxygenase-1 inhibitory active compounds from Atractylodes lancea. J Nat Prod 61: 347-50 (1998)
- Hersperger, R; Buchheit, KH; Cammisuli, S; Enz, A; Lohse, O; Ponelle, M; Schuler, W; Schweitzer, A; Walker, C; Zehender, H; Zenke, G; Zimmerlin, AG; Zollinger, M; Mazzoni, L; Fozard, JR A locally active antiinflammatory macrolide (MLD987) for inhalation therapy of asthma. J Med Chem 47: 4950-7 (2004)
- Woo, LW; Purohit, A; Reed, MJ; Potter, BV Active site directed inhibition of estrone sulfatase by nonsteroidal coumarin sulfamates. J Med Chem 39: 1349-51 (1996)
- Hasrat, JA; Pieters, L; Claeys, M; Vlietinck, A; De Backer, JP; Vauquelin, G Adenosine-1 active ligands: cirsimarin, a flavone glycoside from Microtea debilis. J Nat Prod 60: 638-41 (1997)
- Hwang, SY; Cho, SJ; Kim, J; Chin, J; Hwang, H; Lee, I; Jeon, Y; Lee, J; Jeon, J; Kim, SW Aryl ethene derivative and pharmaceutical composition containing same as active ingredient US Patent US11285226 (2022)
- Desai, RC; Gratale, DF; Han, W; Koyama, H; Metzger, E; Lombardo, VK; MacNaul, KL; Doebber, TW; Berger, JP; Leung, K; Franklin, R; Moller, DE; Heck, JV; Sahoo, SP Aryloxazolidinediones: identification of potent orally active PPAR dual alpha/gamma agonists. Bioorg Med Chem Lett 13: 3541-4 (2003)
- Rassias, G; Zogali, V; Swarbrick, CMD; Ki Chan, KW; Chan, SA; Gwee, CP; Wang, S; Kaplanai, E; Canko, A; Kiousis, D; Lescar, J; Luo, D; Matsoukas, MT; Vasudevan, SG Cell-active carbazole derivatives as inhibitors of the zika virus protease. Eur J Med Chem 180: 536-545 (2019)
- Andrews, PR; Carson, JM; Caselli, A; Spark, MJ; Woods, R Conformational analysis and active site modelling of angiotensin-converting enzyme inhibitors. J Med Chem 28: 393-9 (1985)
- Surleraux, DL; de Kock, HA; Verschueren, WG; Pille, GM; Maes, LJ; Peeters, A; Vendeville, S; De Meyer, S; Azijn, H; Pauwels, R; de Bethune, MP; King, NM; Prabu-Jeyabalan, M; Schiffer, CA; Wigerinck, PB Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem 48: 1965-73 (2005)
- Klein, SI; Molino, BF; Czekaj, M; Gardner, CJ; Chu, V; Brown, K; Sabatino, RD; Bostwick, JS; Kasiewski, C; Bentley, R; Windisch, V; Perrone, M; Dunwiddie, CT; Leadley, RJ Design of a new class of orally active fibrinogen receptor antagonists. J Med Chem 41: 2492-502 (1998)
- Brown, FJ; Andisik, DW; Bernstein, PR; Bryant, CB; Ceccarelli, C; Damewood, JR; Edwards, PD; Earley, RA; Feeney, S; Green, RC Design of orally active, non-peptidic inhibitors of human leukocyte elastase. J Med Chem 37: 1259-61 (1994)
- Crump, CJ; am Ende, CW; Ballard, TE; Pozdnyakov, N; Pettersson, M; Chau, DM; Bales, KR; Li, YM; Johnson, DS Development of clickable active site-directed photoaffinity probes for γ-secretase. Bioorg Med Chem Lett 22: 2997-3000 (2012)
- Debenham, JS; Graham, TH; Verras, A; Zhang, Y; Clements, MJ; Kuethe, JT; Madsen-Duggan, C; Liu, W; Bhatt, UR; Chen, D; Chen, Q; Garcia-Calvo, M; Geissler, WM; He, H; Li, X; Lisnock, J; Shen, Z; Tong, X; Tung, EC; Wiltsie, J; Xu, S; Hale, JJ; Pinto, S; Shen, DM Discovery and optimization of orally active cyclohexane-based prolylcarboxypeptidase (PrCP) inhibitors. Bioorg Med Chem Lett 23: 6228-33 (2013)
- Plantevin Krenitsky, V; Nadolny, L; Delgado, M; Ayala, L; Clareen, SS; Hilgraf, R; Albers, R; Hegde, S; D'Sidocky, N; Sapienza, J; Wright, J; McCarrick, M; Bahmanyar, S; Chamberlain, P; Delker, SL; Muir, J; Giegel, D; Xu, L; Celeridad, M; Lachowitzer, J; Bennett, B; Moghaddam, M; Khatsenko, O; Katz, J; Fan, R; Bai, A; Tang, Y; Shirley, MA; Benish, B; Bodine, T; Blease, K; Raymon, H; Cathers, BE; Satoh, Y Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg Med Chem Lett 22: 1433-8 (2012)
- Fritzemeier, R; Foster, D; Peralta, A; Payette, M; Kharel, Y; Huang, T; Lynch, KR; Santos, WL Discovery of In Vivo Active Sphingosine-1-phosphate Transporter (Spns2) Inhibitors. J Med Chem 65: 7656-7681 (2022)
- Fang, Z; Mu, B; Liu, Y; Guo, N; Xiong, L; Guo, Y; Xia, A; Zhang, R; Zhang, H; Yao, R; Fan, Y; Li, L; Yang, S; Xiang, R Discovery of a potent, selective and cell active inhibitor of m Eur J Med Chem 238: (2022)
- Ho, SY; Wang, W; Ng, FM; Wong, YX; Poh, ZY; Tan, SWE; Ang, SH; Liew, SS; Joyner Wong, YS; Tan, Y; Poulsen, A; Pendharkar, V; Sangthongpitag, K; Manchester, J; Basarab, G; Hill, J; Keller, TH; Cherian, J Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria. Eur J Med Chem 157: 610-621 (2018)
- Hasegawa, F; Niidome, K; Migihashi, C; Murata, M; Negoro, T; Matsumoto, T; Kato, K; Fujii, A Discovery of furan-2-carbohydrazides as orally active glucagon receptor antagonists. Bioorg Med Chem Lett 24: 4266-70 (2014)
- Cai, ZW; Wei, D; Schroeder, GM; Cornelius, LA; Kim, K; Chen, XT; Schmidt, RJ; Williams, DK; Tokarski, JS; An, Y; Sack, JS; Manne, V; Kamath, A; Zhang, Y; Marathe, P; Hunt, JT; Lombardo, LJ; Fargnoli, J; Borzilleri, RM Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors. Bioorg Med Chem Lett 18: 3224-9 (2008)
- Patel, D; Jain, M; Shah, SR; Bahekar, R; Jadav, P; Darji, B; Siriki, Y; Bandyopadhyay, D; Joharapurkar, A; Kshirsagar, S; Patel, H; Shaikh, M; Sairam, KV; Patel, P Discovery of orally active, potent, and selective benzotriazole-based PTP1B inhibitors. ChemMedChem 6: 1011-6 (2011)
- Gewald, R; Grunwald, C; Egerland, U Discovery of triazines as potent, selective and orally active PDE4 inhibitors. Bioorg Med Chem Lett 23: 4308-14 (2013)
- Jochim, AL; Miller, SE; Angelo, NG; Arora, PS Evaluation of triazolamers as active site inhibitors of HIV-1 protease. Bioorg Med Chem Lett 19: 6023-6 (2009)
- Jautelat, R; Brumby, T; Schäfer, M; Briem, H; Eisenbrand, G; Schwahn, S; Krüger, M; Lücking, U; Prien, O; Siemeister, G From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors. Chembiochem 6: 531-40 (2005)
- Sakamoto, T; Moriya, M; Haga, Y; Takahashi, T; Shibata, T; Okamoto, O; Nonoshita, K; Kitazawa, H; Hidaka, M; Gomori, A; Iwaasa, H; Ishihara, A; Kanatani, A; Fukami, T; Gao, YD; Macneil, DJ; Yang, L Identification of novel and orally active spiroindoline NPY Y5 receptor antagonists. Bioorg Med Chem Lett 19: 1564-8 (2009)
- Holewinski, RJ; Creighton, DJ Inhibition by active site directed covalent modification of human glyoxalase I. Bioorg Med Chem 22: 3301-8 (2014)
- Bakken, GV; Molden, E; Knutsen, K; Lunder, N; Hermann, M Metabolism of the active metabolite of quetiapine, N-desalkylquetiapine in vitro. Drug Metab Dispos 40: 1778-84 (2012)
- Atkinson, KA; Beretta, EE; Brown, JA; Castrodad, M; Chen, Y; Cosgrove, JM; Du, P; Litchfield, J; Makowski, M; Martin, K; McLellan, TJ; Neagu, C; Perry, DA; Piotrowski, DW; Steppan, CM; Trilles, R N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Bioorg Med Chem Lett 21: 1621-5 (2011)
- Holladay, MW; Setti, E Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof US Patent US9295672 (2016)
- Mylari, BL; Zembrowski, WJ; Beyer, TA; Aldinger, CE; Siegel, TW Orally active aldose reductase inhibitors: indazoleacetic, oxopyridazineacetic, and oxopyridopyridazineacetic acid derivatives. J Med Chem 35: 2155-62 (1992)
- Haginoya, N; Kobayashi, S; Komoriya, S; Hirokawa, Y; Furugori, T; Nagahara, T Orally active factor Xa inhibitors: 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine derivatives. Bioorg Med Chem Lett 14: 2935-9 (2004)
- Weller, T; Alig, L; Beresini, M; Blackburn, B; Bunting, S; Hadváry, P; Müller, MH; Knopp, D; Levet-Trafit, B; Lipari, MT; Modi, NB; Müller, M; Refino, CJ; Schmitt, M; Schönholzer, P; Weiss, S; Steiner, B Orally active fibrinogen receptor antagonists. 2. Amidoximes as prodrugs of amidines. J Med Chem 39: 3139-47 (1996)
- Biamonte, MA; Shi, J; Hong, K; Hurst, DC; Zhang, L; Fan, J; Busch, DJ; Karjian, PL; Maldonado, AA; Sensintaffar, JL; Yang, YC; Kamal, A; Lough, RE; Lundgren, K; Burrows, FJ; Timony, GA; Boehm, MF; Kasibhatla, SR Orally active purine-based inhibitors of the heat shock protein 90. J Med Chem 49: 817-28 (2006)
- Mack, H; Baucke, D; Hornberger, W; Lange, UE; Seitz, W; Höffken, HW Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety. Bioorg Med Chem Lett 16: 2641-7 (2006)
- Lange, UE; Baucke, D; Hornberger, W; Mack, H; Seitz, W; Höffken, HW Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett 16: 2648-53 (2006)
- Mochizuki, A; Nagata, T; Kanno, H; Takano, D; Kishida, M; Suzuki, M; Ohta, T Orally active zwitterionic factor Xa inhibitors with long duration of action. Bioorg Med Chem Lett 21: 7337-43 (2011)
- PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT
- Froestl, W; Mickel, SJ; von Sprecher, G; Diel, PJ; Hall, RG; Maier, L; Strub, D; Melillo, V; Baumann, PA; Bernasconi, R Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists. J Med Chem 38: 3313-31 (1995)
- Thompson, SK; Washburn, DG; Frazee, JS; Madauss, KP; Hoang, TH; Lapinski, L; Grygielko, ET; Glace, LE; Trizna, W; Williams, SP; Duraiswami, C; Bray, JD; Laping, NJ Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg Med Chem Lett 19: 4777-80 (2009)
- Reichart, F; Maltsev, OV; Kapp, TG; Räder, AFB; Weinmüller, M; Marelli, UK; Notni, J; Wurzer, A; Beck, R; Wester, HJ; Steiger, K; Di Maro, S; Di Leva, FS; Marinelli, L; Nieberler, M; Reuning, U; Schwaiger, M; Kessler, H Selective Targeting of Integrin αvβ8 by a Highly Active Cyclic Peptide. J Med Chem 62: 2024-2037 (2019)
- MacLeod, AM; Street, LJ; Reeve, AJ; Jelley, RA; Sternfeld, F; Beer, MS; Stanton, JA; Watt, AP; Rathbone, D; Matassa, VG Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents. J Med Chem 40: 3501-3 (1997)
- Gonzàlez Cabrera, D; Douelle, F; Le Manach, C; Han, Z; Paquet, T; Taylor, D; Njoroge, M; Lawrence, N; Wiesner, L; Waterson, D; Witty, MJ; Wittlin, S; Street, LJ; Chibale, K Structure-Activity Relationship Studies of Orally Active Antimalarial 2,4-Diamino-thienopyrimidines. J Med Chem 58: 7572-9 (2015)
- Martin, LJ; Koegl, M; Bader, G; Cockcroft, XL; Fedorov, O; Fiegen, D; Gerstberger, T; Hofmann, MH; Hohmann, AF; Kessler, D; Knapp, S; Knesl, P; Kornigg, S; Müller, S; Nar, H; Rogers, C; Rumpel, K; Schaaf, O; Steurer, S; Tallant, C; Vakoc, CR; Zeeb, M; Zoephel, A; Pearson, M; Boehmelt, G; McConnell, D Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem 59: 4462-75 (2016)
- Gupta, RK; Thakur, TS; Desiraju, GR; Tyagi, JS Structure-based design of DevR inhibitor active against nonreplicating Mycobacterium tuberculosis. J Med Chem 52: 6324-34 (2009)
- Varamini, P; Mansfeld, FM; Blanchfield, JT; Wyse, BD; Smith, MT; Toth, I Synthesis and biological evaluation of an orally active glycosylated endomorphin-1. J Med Chem 55: 5859-67 (2012)
- Kavanagh, ME; Doddareddy, MR; Kassiou, M The development of CNS-active LRRK2 inhibitors using property-directed optimisation. Bioorg Med Chem Lett 23: 3690-6 (2013)
- Zuccotto, F; Ardini, E; Casale, E; Angiolini, M Through the"gatekeeper door": exploiting the active kinase conformation. J Med Chem 53: 2681-94 (2010)
- Steinmetzer, T; Konishi, Y Tripeptidyl pyridinium methyl ketones as potent active site inhibitors of thrombin Bioorg Med Chem Lett 6: 1677-1682 (1996)
- Smaill, JB; Gonzales, AJ; Spicer, JA; Lee, H; Reed, JE; Sexton, K; Althaus, IW; Zhu, T; Black, SL; Blaser, A; Denny, WA; Ellis, PA; Fakhoury, S; Harvey, PJ; Hook, K; McCarthy, FO; Palmer, BD; Rivault, F; Schlosser, K; Ellis, T; Thompson, AM; Trachet, E; Winters, RT; Tecle, H; Bridges, A Tyrosine Kinase Inhibitors. 20. Optimization of Substituted Quinazoline and Pyrido[3,4-d]pyrimidine Derivatives as Orally Active, Irreversible Inhibitors of the Epidermal Growth Factor Receptor Family. J Med Chem 59: 8103-24 (2016)
- Zhao, L; Jin, C; Mao, Z; Gopinathan, MB; Rehder, K; Brinton, RD Design, synthesis, and estrogenic activity of a novel estrogen receptor modulator--a hybrid structure of 17beta-estradiol and vitamin E in hippocampal neurons. J Med Chem 50: 4471-81 (2007)
- Khanna, IK; Weier, RM; Yu, Y; Xu, XD; Koszyk, FJ; Collins, PW; Koboldt, CM; Veenhuizen, AW; Perkins, WE; Casler, JJ; Masferrer, JL; Zhang, YY; Gregory, SA; Seibert, K; Isakson, PC 1,2-Diarylimidazoles as potent, cyclooxygenase-2 selective, and orally active antiinflammatory agents. J Med Chem 40: 1634-47 (1997)
- Bloomer, JC; Boyd, HF; Hickey, DM; Ife, RJ; Leach, CA; Macphee, CH; Milliner, KJ; Pinto, IL; Rawlings, DA; Smith, SA; Stansfield, IG; Stanway, SJ; Taylor, MA; Theobald, CJ; Whittaker, CM 1-(Arylpiperazinylamidoalkyl)-pyrimidones: orally active inhibitors of lipoprotein-associated phospholipase A(2). Bioorg Med Chem Lett 11: 1925-9 (2001)
- Knubel, CP; Insfran, C; Martinez, FF; Diaz Lujan, C; Fretes, RE; Theumer, MG; Cervi, L; Motran, CC 3-Hydroxykynurenine, a Tryptophan Metabolite Generated during the Infection, Is Active Against ACS Med Chem Lett 8: 757-761 (2017)
- Maresso, AW; Wu, R; Kern, JW; Zhang, R; Janik, D; Missiakas, DM; Duban, ME; Joachimiak, A; Schneewind, O Activation of inhibitors by sortase triggers irreversible modification of the active site. J Biol Chem 282: 23129-39 (2007)
- Ingavat, N; Kavran, JM; Sun, Z; Rokita, SE Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase. Biochemistry 56: 1130-1139 (2017)
- Dosa, S; Stirnberg, M; Lülsdorff, V; Häußler, D; Maurer, E; Gütschow, M Active site mapping of trypsin, thrombin and matriptase-2 by sulfamoyl benzamidines. Bioorg Med Chem 20: 6489-505 (2012)
- Hirata, T; Nomiyama, J; Sakae, N; Nishimura, K; Yokomoto, M; Inoue, S; Tamura, K; Okuhira, M; Amano, H; Nagao, Y Acyliminothiadiazoline derivatives: New, highly potent, and orally active angiotensin II receptor antagonists Bioorg Med Chem Lett 6: 1469-1474 (1996)
- Anticancer potential of active alkaloids and synthetic analogs derived from marine invertebrates.
- Satoh, Y; Libby, AH; Powers, C; Kowalski, TJ; White, D; Kimble, EF Benzoxepin and benzothiepin derivatives as potent, orally active inhibitors of 5-lipoxygenase Bioorg Med Chem Lett 4: 549-552 (1994)
- Kottirsch, G; Zerwes, HG; Cook, NS; Tapparelli, C Beta-amino acid derivatives as orally active non-peptide fibrinogen receptor antagonists Bioorg Med Chem Lett 7: 727-732 (1997)
- Mollica, A; Pinnen, F; Costante, R; Locatelli, M; Stefanucci, A; Pieretti, S; Davis, P; Lai, J; Rankin, D; Porreca, F; Hruby, VJ Biological active analogues of the opioid peptide biphalin: mixeda/ß(3)-peptides. J Med Chem 56: 3419-23 (2013)
- Kim, IH; Nishi, K; Kasagami, T; Morisseau, C; Liu, JY; Tsai, HJ; Hammock, BD Biologically active ester derivatives as potent inhibitors of the soluble epoxide hydrolase. Bioorg Med Chem Lett 22: 5889-92 (2012)
- Kuhn, CF; Bazin, M; Philippe, L; Zhang, J; Tylaska, L; Miret, J; Bauer, PH Bipiperidinyl carboxylic acid amides as potent, selective, and functionally active CCR4 antagonists. Chem Biol Drug Des 70: 268-72 (2007)
- Wang, Z; Chen, L; Bayly, SF; Torrence, PF Convergent synthesis of ribonuclease L-active 2',5'-oligoadenylate-peptide nucleic acids. Bioorg Med Chem Lett 10: 1357-60 (2000)
- Luo, Q; Ma, Y; Liang, H; Feng, Y; Liu, N; Lian, C; Zhu, L; Ye, Y; Liu, Z; Hou, Z; Chen, S; Wang, Y; Dai, C; Song, C; Zhang, M; He, Z; Xing, Y; Zhong, W; Li, S; Wu, J; Lu, F; Yin, F; Li, Z Covalent Peptide LSD1 Inhibitor Specifically Recognizes Cys360 in the Enzyme-Active Region. J Med Chem 66: 15409-15423 (2023)
- Chen, L; Chen, D; Tang, L; Ren, J; Chen, J; Zhen, X; Liu, YC; Zhang, C; Luo, H; Shen, J; Xiong, B Design and optimization of purine derivatives as in vivo active PDE10A inhibitors. Bioorg Med Chem 25: 3315-3329 (2017)
- MacPherson, LJ; Bayburt, EK; Capparelli, MP; Bohacek, RS; Clarke, FH; Ghai, RD; Sakane, Y; Berry, CJ; Peppard, JV; Trapani, AJ Design and synthesis of an orally active macrocyclic neutral endopeptidase 24.11 inhibitor. J Med Chem 36: 3821-8 (1994)
- Boland, S; Bourin, A; Alen, J; Geraets, J; Schroeders, P; Castermans, K; Kindt, N; Boumans, N; Panitti, L; Fransen, S; Vanormelingen, J; Stassen, JM; Leysen, D; Defert, O Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. J Med Chem 58: 4309-24 (2015)
- Cheng-Sánchez, I; Gosselé, KA; Palaferri, L; Kirillova, MS; Nevado, C Discovery and Characterization of Active CBP/EP300 Degraders Targeting the HAT Domain. ACS Med Chem Lett 15: 355-361 (2024)
- Takano, R; Yoshida, M; Inoue, M; Honda, T; Nakashima, R; Matsumoto, K; Yano, T; Ogata, T; Watanabe, N; Toda, N Discovery of 3-aryl-3-ethoxypropanoic acids as orally active GPR40 agonists. Bioorg Med Chem Lett 24: 2949-53 (2014)
- Nishi, T; Miyazaki, S; Takemoto, T; Suzuki, K; Iio, Y; Nakajima, K; Ohnuki, T; Kawase, Y; Nara, F; Inaba, S; Izumi, T; Yuita, H; Oshima, K; Doi, H; Inoue, R; Tomisato, W; Kagari, T; Shimozato, T Discovery of CS-0777: A Potent, Selective, and Orally Active S1P1 Agonist. ACS Med Chem Lett 2: 368-372 (2011)
- Ito, M; Tanaka, T; Cary, DR; Iwatani-Yoshihara, M; Kamada, Y; Kawamoto, T; Aparicio, S; Nakanishi, A; Imaeda, Y Discovery of Novel 1,4-Diacylpiperazines as Selective and Cell-Active eIF4A3 Inhibitors. J Med Chem 60: 3335-3351 (2017)
- Karstens, WFJ; M B P Menge, W; Martens, G; Op Het Veld, SJN; Th H van Eupen, J; Demon, M; van Achterberg, TAE; Arisse-Thijssen, MJ; Santegoeds-Lenssen, EWH; van der Lee, MMC; Ubink, R; Arends, RJ; Sesink, A; Blomenröhr, M; Marco Timmers, C Discovery of SYD5115, a novel orally active small molecule TSH-R antagonist. Bioorg Med Chem 84: (2023)
- Imaeda, Y; Tokuhara, H; Fukase, Y; Kanagawa, R; Kajimoto, Y; Kusumoto, K; Kondo, M; Snell, G; Behnke, CA; Kuroita, T Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor. ACS Med Chem Lett 7: 933-938 (2016)
- Brand, S; Cleghorn, LA; McElroy, SP; Robinson, DA; Smith, VC; Hallyburton, I; Harrison, JR; Norcross, NR; Spinks, D; Bayliss, T; Norval, S; Stojanovski, L; Torrie, LS; Frearson, JA; Brenk, R; Fairlamb, AH; Ferguson, MA; Read, KD; Wyatt, PG; Gilbert, IH Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J Med Chem 55: 140-52 (2012)
- Tremblay, MR; Lescarbeau, A; Grogan, MJ; Tan, E; Lin, G; Austad, BC; Yu, LC; Behnke, ML; Nair, SJ; Hagel, M; White, K; Conley, J; Manna, JD; Alvarez-Diez, TM; Hoyt, J; Woodward, CN; Sydor, JR; Pink, M; MacDougall, J; Campbell, MJ; Cushing, J; Ferguson, J; Curtis, MS; McGovern, K; Read, MA; Palombella, VJ; Adams, J; Castro, AC Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926). J Med Chem 52: 4400-18 (2009)
- Sun, W; Wu, Y; Zheng, M; Yang, Y; Liu, Y; Wu, C; Zhou, Y; Zhang, Y; Chen, L; Li, H Discovery of an Orally Active Small-Molecule Tumor Necrosis Factor-α Inhibitor. J Med Chem 63: 8146-8156 (2020)
- Xue, CB; Wityak, J; Sielecki, TM; Pinto, DJ; Batt, DG; Cain, GA; Sworin, M; Rockwell, AL; Roderick, JJ; Wang, S; Orwat, MJ; Frietze, WE; Bostrom, LL; Liu, J; Higley, CA; Rankin, FW; Tobin, AE; Emmett, G; Lalka, GK; Sze, JY; Di Meo, SV; Mousa, SA; Thoolen, MJ; Racanelli, AL; Olson, RE Discovery of an orally active series of isoxazoline glycoprotein IIb/IIIa antagonists. J Med Chem 40: 2064-84 (1997)
- Sinz, C; Chang, J; Lins, AR; Brady, E; Candelore, M; Dallas-Yang, Q; Ding, V; Jiang, G; Lin, Z; Mock, S; Qureshi, S; Salituro, G; Saperstein, R; Shang, J; Szalkowski, D; Tota, L; Vincent, S; Wright, M; Xu, S; Yang, X; Zhang, B; Tata, J; Kim, R; Parmee, E Discovery of cyclic guanidines as potent, orally active, human glucagon receptor antagonists. Bioorg Med Chem Lett 21: 7131-6 (2011)
- Peters, JU; Hoffmann, T; Schnider, P; Stadler, H; Koblet, A; Alker, A; Poli, SM; Ballard, TM; Spooren, W; Steward, L; Sleight, AJ Discovery of potent, balanced and orally active dual NK1/NK3 receptor ligands. Bioorg Med Chem Lett 20: 3405-8 (2010)
- Fujimoto, T; Kunitomo, J; Tomata, Y; Nishiyama, K; Nakashima, M; Hirozane, M; Yoshikubo, S; Hirai, K; Marui, S Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists. Bioorg Med Chem Lett 21: 6414-6 (2011)
- Zhan, W; Che, J; Xu, L; Wu, Y; Hu, X; Zhou, Y; Cheng, G; Hu, Y; Dong, X; Li, J Discovery of pyrazole-thiophene derivatives as highly Potent, orally active Akt inhibitors. Eur J Med Chem 180: 72-85 (2019)
- Imaeda, Y; Miyawaki, T; Sakamoto, H; Itoh, F; Konishi, N; Hiroe, K; Kawamura, M; Tanaka, T; Kubo, K Discovery of sulfonylalkylamides: A new class of orally active factor Xa inhibitors. Bioorg Med Chem 16: 2243-60 (2008)
- Tamanini, E; Miyamura, S; Buck, IM; Cons, BD; Dawson, L; East, C; Futamura, T; Goto, S; Griffiths-Jones, C; Hashimoto, T; Heightman, TD; Ishikawa, S; Ito, H; Kaneko, Y; Kawato, T; Kondo, K; Kurihara, N; McCarthy, JM; Mori, Y; Nagase, T; Nakaishi, Y; Reeks, J; Sato, A; Schöpf, P; Tai, K; Tamai, T; Tisi, D; Woolford, AJ Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. ACS Med Chem Lett 13: 1591-1597 (2022)
- Lipinski, CA; Aldinger, CE; Beyer, TA; Bordner, J; Burdi, DF; Bussolotti, DL; Inskeep, PB; Siegel, TW Hydantoin bioisosteres. In vivo active spiro hydroxy acetic acid aldose reductase inhibitors. J Med Chem 35: 2169-77 (1992)
- McKittrick, BA; Caldwell, JP; Bara, T; Boykow, G; Chintala, M; Clader, J; Czarniecki, M; Courneya, B; Duffy, R; Fleming, L; Giessert, R; Greenlee, WJ; Heap, C; Hong, L; Huang, Y; Iserloh, U; Josien, H; Khan, T; Korfmacher, W; Liang, X; Mazzola, R; Mitra, S; Moore, K; Orth, P; Rajagopalan, M; Roy, S; Sakwa, S; Strickland, C; Vaccaro, H; Voigt, J; Wang, H; Wong, J; Zhang, R; Zych, A Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. Bioorg Med Chem Lett 25: 1592-6 (2015)
- Burkhart, JP; Koehl, JR; Mehdi, S; Durham, SL; Janusz, MJ; Huber, EW; Angelastro, MR; Sunder, S; Metz, WA; Shum, PW Inhibition of human neutrophil elastase. 3. An orally active enol acetate prodrug. J Med Chem 38: 223-33 (1995)
- Macdonald, SJ; Dowle, MD; Harrison, LA; Spooner, JE; Shah, P; Johnson, MR; Inglis, GG; Clarke, GD; Belton, DJ; Smith, RA; Molloy, CR; Dixon, M; Murkitt, G; Godward, RE; Skarzynski, T; Singh, OM; Kumar, KA; Hodgson, ST; McDonald, E; Hardy, GW; Finch, H; Humphreys, DC; Fleetwood, G Intracellular inhibition of human neutrophil elastase by orally active pyrrolidine-trans-lactams. Bioorg Med Chem Lett 11: 243-6 (2001)
- Kajanus, J; Jacobson, I; Åstrand, A; Olsson, RI; Gran, U; Björe, A; Fjellström, O; Davidsson, Ö; Emtenäs, H; Dahlén, A; Löfberg, B; Yuan, ZQ; Sundell, J; Cassel, J; Gyll, J; Iliefski, T; Högberg, Å; Lindhardt, E; Malmberg, J Isoindolinone compounds active as Kv1.5 blockers identified using a multicomponent reaction approach. Bioorg Med Chem Lett 26: 2023-9 (2016)
- Chang, G; Schwepler, D; Decedue, CJ; Balzarini, J; De Clercq, E; Mertes, MP Linear free energy relationship studies of enzyme active site binding: thymidylate synthase. J Med Chem 31: 1141-7 (1988)
- Jiang, Z; You, Q; Zhang, X Medicinal chemistry of metal chelating fragments in metalloenzyme active sites: A perspective. Eur J Med Chem 165: 172-197 (2019)
- Herm, L; Berényi, S; Vonk, A; Rinken, A; Sipos, A N-Substituted-2-alkyl- and 2-arylnorapomorphines: novel, highly active D2 agonists. Bioorg Med Chem 17: 4756-62 (2009)
- Verheijen, JC; Wiig, KA; Du, S; Connors, SL; Martin, AN; Ferreira, JP; Slepnev, VI; Kochendörfer, U Novel carbamate cholinesterase inhibitors that release biologically active amines following enzyme inhibition. Bioorg Med Chem Lett 19: 3243-6 (2009)
- Apgar, JM; Wilkening, RR; Greenlee, ML; Balkovec, JM; Flattery, AM; Abruzzo, GK; Galgoci, AM; Giacobbe, RA; Gill, CJ; Hsu, MJ; Liberator, P; Misura, AS; Motyl, M; Nielsen Kahn, J; Powles, M; Racine, F; Dragovic, J; Habulihaz, B; Fan, W; Kirwan, R; Lee, S; Liu, H; Mamai, A; Nelson, K; Peel, M Novel orally active inhibitors of β-1,3-glucan synthesis derived from enfumafungin. Bioorg Med Chem Lett 25: 5813-8 (2015)
- Czopek, A; Kolaczkowski, M; Bucki, A; Byrtus, H; Pawlowski, M; Kazek, G; Bojarski, AJ; Piaskowska, A; Kalinowska-Tluscik, J; Partyka, A; Wesolowska, A Novel spirohydantoin derivative as a potent multireceptor-active antipsychotic and antidepressant agent. Bioorg Med Chem 23: 3436-47 (2015)
- Harrington, PE; Croghan, MD; Fotsch, C; Frohn, M; Lanman, BA; Pennington, LD; Pickrell, AJ; Reed, AB; Sham, KK; Tasker, A; Arnett, HA; Fiorino, M; Lee, MR; McElvain, M; Morrison, HG; Xu, H; Xu, Y; Zhang, X; Wong, M; Cee, VJ Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. ACS Med Chem Lett 3: 74-78 (2012)
- Korboukh, I; Hull-Ryde, EA; Rittiner, JE; Randhawa, AS; Coleman, J; Fitzpatrick, BJ; Setola, V; Janzen, WP; Frye, SV; Zylka, MJ; Jin, J Orally active adenosine A(1) receptor agonists with antinociceptive effects in mice. J Med Chem 55: 6467-77 (2012)
- Olson, RE; Sielecki, TM; Wityak, J; Pinto, DJ; Batt, DG; Frietze, WE; Liu, J; Tobin, AE; Orwat, MJ; Di Meo, SV; Houghton, GC; Lalka, GK; Mousa, SA; Racanelli, AL; Hausner, EA; Kapil, RP; Rabel, SR; Thoolen, MJ; Reilly, TM; Anderson, PS; Wexler, RR Orally active isoxazoline glycoprotein IIb/IIIa antagonists with extended duration of action. J Med Chem 42: 1178-92 (1999)
- Ryono, DE; Lloyd, J; Poss, MA; Bird, JE; Buote, J; Chong, S; Dejneka, T; Dickinson, KE; Gu, Z; Mathers, P; Moreland, S; Morrison, RA; Petrillo, EW; Powell, JR; Schaeffer, T; Spitzmiller, ER; White, RE Orally active prodrugs of quinoline-4-carboxylic acid angiotensin II receptor antagonists Bioorg Med Chem Lett 4: 201-206 (1994)
- Yu, S; Qin, D; Shangary, S; Chen, J; Wang, G; Ding, K; McEachern, D; Qiu, S; Nikolovska-Coleska, Z; Miller, R; Kang, S; Yang, D; Wang, S Potent and orally active small-molecule inhibitors of the MDM2-p53 interaction. J Med Chem 52: 7970-3 (2009)
- Mantlo, NB; Chakravarty, PK; Ondeyka, DL; Siegl, PK; Chang, RS; Lotti, VJ; Faust, KA; Chen, TB; Schorn, TW; Sweet, CS Potent, orally active imidazo[4,5-b]pyridine-based angiotensin II receptor antagonists. J Med Chem 34: 2919-22 (1991)
- Samanen, JM; Ali, FE; Barton, LS; Bondinell, WE; Burgess, JL; Callahan, JF; Calvo, RR; Chen, W; Chen, L; Erhard, K; Feuerstein, G; Heys, R; Hwang, SM; Jakas, DR; Keenan, RM; Ku, TW; Kwon, C; Lee, CP; Miller, WH; Newlander, KA; Nichols, A; Parker, M; Peishoff, CE; Rhodes, G; Ross, S; Shu, A; Simpson, R; Takata, D; Yellin, TO; Uzsinskas, I; Venslavsky, JW; Yuan, CK; Huffman, WF Potent, selective, orally active 3-oxo-1,4-benzodiazepine GPIIb/IIIa integrin antagonists. J Med Chem 39: 4867-70 (1997)
- Akhteruzzaman, S; Kato, Y; Hisaka, A; Sugiyama, Y Primary active transport of peptidic endothelin antagonists by rat hepatic canalicular membrane. J Pharmacol Exp Ther 288: 575-81 (1999)
- Failli, AA; Shumsky, JS; Steffan, RJ; Caggiano, TJ; Williams, DK; Trybulski, EJ; Ning, X; Lock, Y; Tanikella, T; Hartmann, D; Chan, PS; Park, CH Pyridobenzodiazepines: a novel class of orally active, vasopressin V2 receptor selective agonists. Bioorg Med Chem Lett 16: 954-9 (2006)
- Hegde, SS; Bonhaus, DW; Johnson, LG; Leung, E; Clark, RD; Eglen, RM RS 39604: a potent, selective and orally active 5-HT4 receptor antagonist. Br J Pharmacol 115: 1087-95 (1995)
- Iwanowicz, EJ; Lau, WF; Lin, J; Roberts, DG; Seiler, SM Retro-binding tripeptide thrombin active-site inhibitors: discovery, synthesis, and molecular modeling. J Med Chem 37: 2122-4 (1994)
- Shishodia, S; Nuñez, R; Strohmier, BP; Bursch, KL; Goetz, CJ; Olp, MD; Jensen, DR; Fenske, TG; Ordonez-Rubiano, SC; Blau, ME; Roach, MK; Peterson, FC; Volkman, BF; Dykhuizen, EC; Smith, BC Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening. J Med Chem 65: 13714-13735 (2022)
- Young, RJ; Brown, D; Burns-Kurtis, CL; Chan, C; Convery, MA; Hubbard, JA; Kelly, HA; Pateman, AJ; Patikis, A; Senger, S; Shah, GP; Toomey, JR; Watson, NS; Zhou, P Selective and dual action orally active inhibitors of thrombin and factor Xa. Bioorg Med Chem Lett 17: 2927-30 (2007)
- Josien, H; Bara, T; Rajagopalan, M; Asberom, T; Clader, JW; Favreau, L; Greenlee, WJ; Hyde, LA; Nomeir, AA; Parker, EM; Pissarnitski, DA; Song, L; Wong, GT; Zhang, L; Zhang, Q; Zhao, Z Small conformationally restricted piperidine N-arylsulfonamides as orally active gamma-secretase inhibitors. Bioorg Med Chem Lett 17: 5330-5 (2007)
- Devanesan, PD; Bobst, AM Spin probes as mechanistic inhibitors and active site probes of thymidylate synthetase. J Med Chem 29: 1237-42 (1987)
- González Cabrera, D; Douelle, F; Younis, Y; Feng, TS; Le Manach, C; Nchinda, AT; Street, LJ; Scheurer, C; Kamber, J; White, KL; Montagnat, OD; Ryan, E; Katneni, K; Zabiulla, KM; Joseph, JT; Bashyam, S; Waterson, D; Witty, MJ; Charman, SA; Wittlin, S; Chibale, K Structure-activity relationship studies of orally active antimalarial 3,5-substituted 2-aminopyridines. J Med Chem 55: 11022-30 (2012)
- Shukla, NM; Malladi, SS; Mutz, CA; Balakrishna, R; David, SA Structure-activity relationships in human toll-like receptor 7-active imidazoquinoline analogues. J Med Chem 53: 4450-65 (2010)
- Kitas, EA; Galley, G; Jakob-Roetne, R; Flohr, A; Wostl, W; Mauser, H; Alker, AM; Czech, C; Ozmen, L; David-Pierson, P; Reinhardt, D; Jacobsen, H Substituted 2-oxo-azepane derivatives are potent, orally active gamma-secretase inhibitors. Bioorg Med Chem Lett 18: 304-8 (2008)
- Côté, B; Boulet, L; Brideau, C; Claveau, D; Ethier, D; Frenette, R; Gagnon, M; Giroux, A; Guay, J; Guiral, S; Mancini, J; Martins, E; Massé, F; Méthot, N; Riendeau, D; Rubin, J; Xu, D; Yu, H; Ducharme, Y; Friesen, RW Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors. Bioorg Med Chem Lett 17: 6816-20 (2008)
- Dumas, J; Hatoum-Mokdad, H; Sibley, RN; Smith, RA; Scott, WJ; Khire, U; Lee, W; Wood, J; Wolanin, D; Cooley, J; Bankston, D; Redman, AM; Schoenleber, R; Caringal, Y; Gunn, D; Romero, R; Osterhout, M; Paulsen, H; Housley, TJ; Wilhelm, SM; Pirro, J; Chien, DS; Ranges, GE; Shrikhande, A; Muzsi, A; Bortolon, E; Wakefield, J; Gianpaolo Ostravage, C; Bhargava, A; Chau, T Synthesis and pharmacological characterization of a potent, orally active p38 kinase inhibitor. Bioorg Med Chem Lett 12: 1559-62 (2002)
- Saltmarsh, JR; Boyd, AE; Rodriguez, OP; Radic, Z; Taylor, P; Thompson, CM Synthesis of fluorescent probes directed to the active site gorge of acetylcholinesterase. Bioorg Med Chem Lett 10: 1523-6 (2000)
- Adamska, A; Kluczyk, A; Cerlesi, MC; Calo, G; Janecka, A; Borics, A Synthesis, biological evaluation and structural analysis of novel peripherally active morphiceptin analogs. Bioorg Med Chem 24: 1582-8 (2016)
- Weiler, S; Braendlin, N; Beerli, C; Bergsdorf, C; Schubart, A; Srinivas, H; Oberhauser, B; Billich, A Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J Med Chem 57: 5074-84 (2014)
- Sonesson, C; Boije, M; Svensson, K; Ekman, A; Carlsson, A; Romero, AG; Martin, IJ; Duncan, JN; King, LJ; Wikström, H Orally active central dopamine and serotonin receptor ligands: 5-, 6-, 7-, and 8-[[trifluoromethyl)sulfonyl]oxy]-2-(di-n-propylamino)tetralins and the formation of active metabolites in vivo. J Med Chem 36: 3409-16 (1993)
- Li, JJ; Anderson, GD; Burton, EG; Cogburn, JN; Collins, JT; Garland, DJ; Gregory, SA; Huang, HC; Isakson, PC; Koboldt, CM 1,2-Diarylcyclopentenes as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents. J Med Chem 38: 4570-8 (1995)
- Friesen, RW; Brideau, C; Chan, CC; Charleson, S; Deschênes, D; Dubé, D; Ethier, D; Fortin, R; Gauthier, JY; Girard, Y; Gordon, R; Greig, GM; Riendeau, D; Savoie, C; Wang, Z; Wong, E; Visco, D; Xu, LJ; Young, RN 2-Pyridinyl-3-(4-methylsulfonyl)phenylpyridines: selective and orally active cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett 8: 2777-82 (1999)
- Bolli, MH; Abele, S; Binkert, C; Bravo, R; Buchmann, S; Bur, D; Gatfield, J; Hess, P; Kohl, C; Mangold, C; Mathys, B; Menyhart, K; Müller, C; Nayler, O; Scherz, M; Schmidt, G; Sippel, V; Steiner, B; Strasser, D; Treiber, A; Weller, T 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists. J Med Chem 53: 4198-211 (2010)
- Knaab, TC; Held, J; Burckhardt, BB; Rubiano, K; Okombo, J; Yeo, T; Mok, S; Uhlemann, AC; Lungerich, B; Fischli, C; Pessanha de Carvalho, L; Mordmüller, B; Wittlin, S; Fidock, DA; Kurz, T 3-Hydroxy-propanamidines, a New Class of Orally Active Antimalarials Targeting Plasmodium falciparum. J Med Chem 64: 3035-3047 (2021)
- Willson, TM; Henke, BR; Momtahen, TM; Myers, PL; Sugg, EE; Unwalla, RJ; Croom, DK; Dougherty, RW; Grizzle, MK; Johnson, MF; Queen, KL; Rimele, TJ; Yingling, JD; James, MK 3-[2-(N-phenylacetamide)]-1,5-benzodiazepines: orally active, binding selective CCK-A agonists. J Med Chem 39: 3030-4 (1996)
- Hattori, K; Tabuchi, S; Okitsu, O; Taniguchi, K A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic. Bioorg Med Chem Lett 13: 4277-9 (2003)
- Forbes, C; Shi, Q; Fisher, JF; Lee, M; Hesek, D; Llarrull, LI; Toth, M; Gossing, M; Fridman, R; Mobashery, S Active site ring-opening of a thiirane moiety and picomolar inhibition of gelatinases. Chem Biol Drug Des 74: 527-34 (2009)
- Quevedo, CE; Bataille, CJR; Byrne, S; Durbin, M; Elkins, J; Guillermo, A; Jones, AM; Knapp, S; Nadali, A; Walker, RG; Wilkinson, IVL; Wynne, GM; Davies, SG; Russell, AJ Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family. Bioorg Med Chem 28: (2020)
- Shan, W; Balog, A; Quesnelle, C; Gill, P; Han, WC; Norris, D; Mandal, S; Thiruvenkadam, R; Gona, KB; Thiyagarajan, K; Kandula, S; McGlinchey, K; Menard, K; Wen, ML; Rose, A; White, R; Guarino, V; Shen, DR; Cvijic, ME; Ranasinghe, A; Dai, J; Zhang, Y; Wu, DR; Mathur, A; Rampulla, R; Trainor, G; Hunt, JT; Vite, GD; Westhouse, R; Lee, FY; Gavai, AV BMS-871: a novel orally active pan-Notch inhibitor as an anticancer agent. Bioorg Med Chem Lett 25: 1905-9 (2015)
- Coppola, GM; Damon, RE; Eskesen, JB; France, DS; Paterniti, JR Biological evaluation of 1-alkyl-3-phenylthioureas as orally active HDL-elevating agents. Bioorg Med Chem Lett 16: 113-7 (2005)
- Greenspan, PD; Fujimoto, RA; Marshall, PJ; Raychaudhuri, A; Lipson, KE; Zhou, H; Doti, RA; Coppa, DE; Zhu, L; Pelletier, R; Uziel-Fusi, S; Jackson, RH; Chin, MH; Kotyuk, BL; Fitt, JJ Carboxy-substituted cinnamides: a novel series of potent, orally active LTB4 receptor antagonists. J Med Chem 42: 164-72 (1999)
- Purkey, HE; Robarge, K; Chen, J; Chen, Z; Corson, LB; Ding, CZ; DiPasquale, AG; Dragovich, PS; Eigenbrot, C; Evangelista, M; Fauber, BP; Gao, Z; Ge, H; Hitz, A; Ho, Q; Labadie, SS; Lai, KW; Liu, W; Liu, Y; Li, C; Ma, S; Malek, S; O'Brien, T; Pang, J; Peterson, D; Salphati, L; Sideris, S; Ultsch, M; Wei, B; Yen, I; Yue, Q; Zhang, H; Zhou, A Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS Med Chem Lett 7: 896-901 (2016)
- Pérez-Areales, FJ; Garrido, M; Aso, E; Bartolini, M; De Simone, A; Espargaró, A; Ginex, T; Sabate, R; Pérez, B; Andrisano, V; Puigoriol-Illamola, D; Pallàs, M; Luque, FJ; Loza, MI; Brea, J; Ferrer, I; Ciruela, F; Messeguer, A; Muñoz-Torrero, D Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6. J Med Chem 63: 9360-9390 (2020)
- Erdélyi, P; Fodor, T; Varga, AK; Czugler, M; Gere, A; Fischer, J Chemical and biological investigation of N-hydroxy-valdecoxib: An active metabolite of valdecoxib. Bioorg Med Chem 16: 5322-30 (2008)
- Kendrick, DA; Ryder, H; Semple, G; Szelke, M Cholecystokinin analogues: The ergopeptine alkaloids as models of the active conformation of CCK Bioorg Med Chem Lett 2: 9-12 (1992)
- Ohmoto, K; Yamamoto, T; Horiuchi, T; Imanishi, H; Odagaki, Y; Kawabata, K; Sekioka, T; Hirota, Y; Matsuoka, S; Nakai, H; Toda, M; Cheronis, JC; Spruce, LW; Gyorkos, A; Wieczorek, M Design and synthesis of new orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem 43: 4927-9 (2001)
- Watson, NS; Brown, D; Campbell, M; Chan, C; Chaudry, L; Convery, MA; Fenwick, R; Hamblin, JN; Haslam, C; Kelly, HA; King, NP; Kurtis, CL; Leach, AR; Manchee, GR; Mason, AM; Mitchell, C; Patel, C; Patel, VK; Senger, S; Shah, GP; Weston, HE; Whitworth, C; Young, RJ Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors. Bioorg Med Chem Lett 16: 3784-8 (2006)
- Doherty, AM; Sircar, I; Kornberg, BE; Quin, J; Winters, RT; Kaltenbronn, JS; Taylor, MD; Batley, BL; Rapundalo, SR; Ryan, MJ Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors. J Med Chem 35: 2-14 (1992)
- Schade, D; Kotthaus, J; Riebling, L; Kotthaus, J; Müller-Fielitz, H; Raasch, W; Koch, O; Seidel, N; Schmidtke, M; Clement, B Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A. J Med Chem 57: 759-69 (2014)
- Nakamura, T; Asano, M; Sekiguchi, Y; Mizuno, Y; Tamaki, K; Kimura, T; Nara, F; Kawase, Y; Shimozato, T; Doi, H; Kagari, T; Tomisato, W; Inoue, R; Nagasaki, M; Yuita, H; Oguchi-Oshima, K; Kaneko, R; Watanabe, N; Abe, Y; Nishi, T Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorg Med Chem Lett 22: 1788-92 (2012)
- Yu, T; Li, N; Wu, C; Guan, A; Li, Y; Peng, Z; He, M; Li, J; Gong, Z; Huang, L; Gao, B; Hao, D; Sun, J; Pan, Y; Shen, L; Chan, C; Lu, X; Yuan, H; Li, Y; Li, J; Chen, S Discovery of Pyridopyrimidinones as Potent and Orally Active Dual Inhibitors of PI3K/mTOR. ACS Med Chem Lett 9: 256-261 (2018)
- Iijima, D; Sugama, H; Takahashi, Y; Hirai, M; Togashi, Y; Xie, J; Shen, J; Ke, Y; Akatsuka, H; Kawaguchi, T; Takedomi, K; Kashima, A; Nishio, M; Inui, Y; Yoneda, H; Xia, G; Iijima, T Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J Med Chem 65: 10882-10897 (2022)
- De, B; Winn, M; Zydowsky, TM; Kerkman, DJ; DeBernardis, JF; Lee, J; Buckner, S; Warner, R; Brune, M; Hancock, A Discovery of a novel class of orally active, non-peptide angiotensin II antagonists. J Med Chem 35: 3714-7 (1992)
- Cho, SY; Han, SY; Ha, JD; Ryu, JW; Lee, CO; Jung, H; Kang, NS; Kim, HR; Koh, JS; Lee, J Discovery of aminopyridines substituted with benzoxazole as orally active c-Met kinase inhibitors. Bioorg Med Chem Lett 20: 4223-7 (2010)
- Potter, A; Oldfield, V; Nunns, C; Fromont, C; Ray, S; Northfield, CJ; Bryant, CJ; Scrace, SF; Robinson, D; Matossova, N; Baker, L; Dokurno, P; Surgenor, AE; Davis, B; Richardson, CM; Murray, JB; Moore, JD Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg Med Chem Lett 20: 6483-8 (2010)
- Shen, DM; Zhang, F; Brady, EJ; Candelore, MR; Dallas-Yang, Q; Ding, VD; Dragovic, J; Feeney, WP; Jiang, G; McCann, PE; Mock, S; Qureshi, SA; Saperstein, R; Shen, X; Tamvakopoulos, C; Tong, X; Tota, LM; Wright, MJ; Yang, X; Zheng, S; Chapman, KT; Zhang, BB; Tata, JR; Parmee, ER Discovery of novel, potent, and orally active spiro-urea human glucagon receptor antagonists. Bioorg Med Chem Lett 15: 4564-9 (2005)
- Siu, T; Liang, J; Arruda, J; Li, Y; Jones, RE; Defeo-Jones, D; Barnett, SF; Robinson, RG Discovery of potent and cell-active allosteric dual Akt 1 and 2 inhibitors. Bioorg Med Chem Lett 18: 4186-90 (2008)
- Li, J; Bertinato, P; Cheng, H; Cole, BM; Bronk, BS; Jaynes, BH; Hickman, A; Haven, ML; Kolosko, NL; Barry, CJ; Manion, TB Discovery of potent and orally active MTP inhibitors as potential anti-obesity agents. Bioorg Med Chem Lett 16: 3039-42 (2006)
- Greco, MN; Hawkins, MJ; Powell, ET; Almond, HR; de Garavilla, L; Hall, J; Minor, LK; Wang, Y; Corcoran, TW; Di Cera, E; Cantwell, AM; Savvides, SN; Damiano, BP; Maryanoff, BE Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J Med Chem 50: 1727-30 (2007)
- Xiao, D; Palani, A; Sofolarides, M; Aslanian, R; West, RE; Williams, SM; Wu, RL; Hwa, J; Sondey, C; Lachowicz, J; Korfmacher, WA Fused bicycles as arylketone bioisosteres leading to potent, orally active thiadiazole H3 antagonists. Bioorg Med Chem Lett 22: 3354-7 (2012)
- Armstrong, M; van Hoorebeke, C; Horn, T; Deschamps, J; Freedman, JC; Kalyanaraman, C; Jacobson, MP; Holman, T Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency. Bioorg Med Chem 24: 5380-5387 (2016)
- Verma, SK; Tian, X; LaFrance, LV; Duquenne, C; Suarez, DP; Newlander, KA; Romeril, SP; Burgess, JL; Grant, SW; Brackley, JA; Graves, AP; Scherzer, DA; Shu, A; Thompson, C; Ott, HM; Aller, GS; Machutta, CA; Diaz, E; Jiang, Y; Johnson, NW; Knight, SD; Kruger, RG; McCabe, MT; Dhanak, D; Tummino, PJ; Creasy, CL; Miller, WH Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2. ACS Med Chem Lett 3: 1091-1096 (2012)
- Suzuki, T; Asaba, T; Imai, E; Tsumoto, H; Nakagawa, H; Miyata, N Identification of a cell-active non-peptide sirtuin inhibitor containing N-thioacetyl lysine. Bioorg Med Chem Lett 19: 5670-2 (2009)
- Mowat, J; Ehrmann, AHM; Christian, S; Sperl, C; Menz, S; Günther, J; Hillig, RC; Bauser, M; Schwede, W Identification of the Highly Active, Species Cross-Reactive Complex I Inhibitor BAY-179. ACS Med Chem Lett 13: 348-357 (2022)
- PubChem, PC In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Reproducibility testing PubChem Bioassay (2006)
- PubChem, PC In vitro MKP-3 Phosphatase Dose Response Active/Probe Assessment Assay - Reproducibility testing PubChem Bioassay (2007)
- Wu, L; Lu, K; Packiarajan, M; Jubian, V; Chandrasena, G; Wolinsky, TC; Walker, MW Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists. Bioorg Med Chem Lett 22: 2167-71 (2012)
- Hattori, K; Takamura, F; Tanaka, A; Takasugi, H; Taniguchi, K; Nishio, M; Koyama, S; Seki, J; Sakane, K Metabolism investigation leading to novel drug design: orally active prostacyclin mimetics. Part 4. Bioorg Med Chem Lett 15: 3284-7 (2005)
- Poras, H; Bonnard, E; Dangé, E; Fournié-Zaluski, MC; Roques, BP New orally active dual enkephalinase inhibitors (DENKIs) for central and peripheral pain treatment. J Med Chem 57: 5748-63 (2014)
- Potin, D; Parnet, V; Teulon, JM; Camborde, F; Caussade, F; Meignen, J; Provost, D; Cloarec, A Novel 3-(4-piperidinylthio)-1H-indoles as potent nonopioid orally active central analgesics. Bioorg Med Chem Lett 10: 805-9 (2000)
- Li, JJ; Norton, MB; Reinhard, EJ; Anderson, GD; Gregory, SA; Isakson, PC; Koboldt, CM; Masferrer, JL; Perkins, WE; Seibert, K; Zhang, Y; Zweifel, BS; Reitz, DB Novel terphenyls as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents. J Med Chem 39: 1846-56 (1996)
- Yamashita, H; Suzuki, N OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent US Patent US10149840 (2018)
- Heinrich, T; Peterson, C; Schneider, R; Garg, S; Schwarz, D; Gunera, J; Seshire, A; Kötzner, L; Schlesiger, S; Musil, D; Schilke, H; Doerfel, B; Diehl, P; Böpple, P; Lemos, AR; Sousa, PMF; Freire, F; Bandeiras, TM; Carswell, E; Pearson, N; Sirohi, S; Hooker, M; Trivier, E; Broome, R; Balsiger, A; Crowden, A; Dillon, C; Wienke, D Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead J Med Chem 65: 9206-9229 (2022)
- Shimizu, T; Fujiwara, Y; Osawa, T; Sakai, T; Kubo, K; Kubo, K; Nishitoba, T; Kimura, K; Senga, T; Murooka, H; Iwai, A; Fukushima, K; Yoshino, T; Miwa, A Orally active anti-proliferation agents: novel diphenylamine derivatives as FGF-R2 autophosphorylation inhibitors. Bioorg Med Chem Lett 14: 875-9 (2004)
- Rumsey, WL; Aharony, D; Bialecki, RA; Abbott, BM; Barthlow, HG; Caccese, R; Ghanekar, S; Lengel, D; McCarthy, M; Wenrich, B; Undem, B; Ohnmacht, C; Shenvi, A; Albert, JS; Brown, F; Bernstein, PR; Russell, K Pharmacological characterization of ZD6021: a novel, orally active antagonist of the tachykinin receptors. J Pharmacol Exp Ther 298: 307-15 (2001)
- Kajanus, J; Antonsson, T; Carlsson, L; Jurva, U; Pettersen, A; Sundell, J; Inghardt, T Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents. Bioorg Med Chem Lett 29: 1241-1245 (2019)
- Boyd, HF; Fell, SC; Hickey, DM; Ife, RJ; Leach, CA; Macphee, CH; Milliner, KJ; Pinto, IL; Rawlings, DA; Smith, SA; Stansfield, IG; Stanway, SJ; Theobald, CJ; Whittaker, CM Potent, orally active inhibitors of lipoprotein-associated phospholipase A(2): 1-(biphenylmethylamidoalkyl)-pyrimidones. Bioorg Med Chem Lett 12: 51-5 (2001)
- Abe, T; Okue, M; Sakamaki, Y Process for preparing a compound useful for producing an optically active diazabicyclooctane compound US Patent US9035062 (2015)
- Hartmann, RW; Bayer, H; Grün, G; Sergejew, T; Bartz, U; Mitrenga, M Pyridyl-substituted tetrahydrocyclopropa[a]naphthalenes: highly active and selective inhibitors of P450 arom. J Med Chem 38: 2103-11 (1995)
- Zhang, Y; Gao, H; Liu, R; Liu, J; Chen, L; Li, X; Zhao, L; Wang, W; Li, B Quinazoline-1-deoxynojirimycin hybrids as high active dual inhibitors of EGFR andα-glucosidase. Bioorg Med Chem Lett 27: 4309-4313 (2017)
- McDermott, LA; Simcox, M; Higgins, B; Nevins, T; Kolinsky, K; Smith, M; Yang, H; Li, JK; Chen, Y; Ke, J; Mallalieu, N; Egan, T; Kolis, S; Railkar, A; Gerber, L; Luk, KC RO4383596, an orally active KDR, FGFR, and PDGFR inhibitor: synthesis and biological evaluation. Bioorg Med Chem 13: 4835-41 (2005)
- Ratni, H; Ballard, TM; Bissantz, C; Hoffmann, T; Jablonski, P; Knoflach, F; Knust, H; Malherbe, P; Nettekoven, M; Patiny-Adam, A; Riemer, C; Schmitt, M; Spooren, W Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists. Bioorg Med Chem Lett 20: 6735-8 (2010)
- Duvauchelle, V; Meffre, P; Benfodda, Z Recent contribution of medicinally active 2-aminothiophenes: A privileged scaffold for drug discovery. Eur J Med Chem 238: (2022)
- Sternfeld, F; Carling, RW; Jelley, RA; Ladduwahetty, T; Merchant, KJ; Moore, KW; Reeve, AJ; Street, LJ; O'Connor, D; Sohal, B; Atack, JR; Cook, S; Seabrook, G; Wafford, K; Tattersall, FD; Collinson, N; Dawson, GR; Castro, JL; MacLeod, AM Selective, orally active gamma-aminobutyric acidA alpha5 receptor inverse agonists as cognition enhancers. J Med Chem 47: 2176-9 (2004)
- Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
- Xie, YF; Lake, K; Ligsay, K; Komandla, M; Sircar, I; Nagarajan, G; Li, J; Xu, K; Parise, J; Schneider, L; Huang, D; Liu, J; Dines, K; Sakurai, N; Barbosa, M; Jack, R Structure-activity relationships of novel, highly potent, selective, and orally active CCR1 antagonists. Bioorg Med Chem Lett 17: 3367-72 (2007)
- Wei, B; Robarge, K; Labadie, SS; Chen, J; Corson, LB; DiPasquale, A; Dragovich, PS; Eigenbrot, C; Evangelista, M; Fauber, BP; Hitz, A; Hong, R; Lai, KW; Liu, W; Ma, S; Malek, S; O'Brien, T; Pang, J; Peterson, D; Salphati, L; Sampath, D; Sideris, S; Ultsch, M; Xu, Z; Yen, I; Yu, D; Yue, Q; Zhou, A; Purkey, HE Structure-based optimization of hydroxylactam as potent, cell-active inhibitors of lactate dehydrogenase. Bioorg Med Chem Lett 59: (2022)
- Ivachtchenko, AV; Bichko, VV; Mitkin, OD Substituted azoles, antiviral active component, pharmaceutical composition, method for preparation and use thereof US Patent US9428491 (2016)
- Frenette, R; Hutchinson, JH; Léger, S; Thérien, M; Brideau, C; Chan, CC; Charleson, S; Ethier, D; Guay, J; Jones, TR; McAuliffe, M; Piechuta, H; Riendeau, D; Tagari, P; Girard, Y Substituted indoles as potent and orally active 5-lipoxygenase activating protein (FLAP) inhibitors. Bioorg Med Chem Lett 9: 2391-6 (1999)
- Shepherd, C; Robinson, S; Berizzi, A; Thompson, LEJ; Bird, L; Culurgioni, S; Varzandeh, S; Rawlins, PB; Olsen, RHJ; Navratilova, IH Surface Plasmon Resonance Screening to Identify Active and Selective Adenosine Receptor Binding Fragments. ACS Med Chem Lett 13: 1172-1181 (2022)
- Tanino, T; Ichikawa, S; Al-Dabbagh, B; Bouhss, A; Oyama, H; Matsuda, A Synthesis and Biological Evaluation of Muraymycin Analogues Active against Anti-Drug-Resistant Bacteria. ACS Med Chem Lett 1: 258-262 (2010)
- Eskandari, R; Jayakanthan, K; Kuntz, DA; Rose, DR; Pinto, BM Synthesis of a biologically active isomer of kotalanol, a naturally occurring glucosidase inhibitor. Bioorg Med Chem 18: 2829-35 (2010)
- Takekawa, S; Asami, A; Ishihara, Y; Terauchi, J; Kato, K; Shimomura, Y; Mori, M; Murakoshi, H; Kato, K; Suzuki, N; Nishimura, O; Fujino, M T-226296: a novel, orally active and selective melanin-concentrating hormone receptor antagonist. Eur J Pharmacol 438: 129-35 (2002)
- Yurek-George, A; Cecil, AR; Mo, AH; Wen, S; Rogers, H; Habens, F; Maeda, S; Yoshida, M; Packham, G; Ganesan, A The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor. J Med Chem 50: 5720-5726 (2007)
- Tata, JR; Lu, Z; Jacks, TM; Schleim, KD; Cheng, K; Wei, L; Chan, WW; Butler, B; Tsou, N; Leung, K; Chiu, S; Hickey, G; Smith, RG; Patchett, AA The design and synthesis of orally active short duration spiroindane growth hormone secretagogues Bioorg Med Chem Lett 7: 2319-2324 (1997)
- van Vliet, LA; Rodenhuis, N; Wikström, H; Pugsley, TA; Serpa, KA; Meltzer, LT; Heffner, TG; Wise, LD; Lajiness, ME; Huff, RM; Svensson, K; Haenen, GR; Bast, A Thiazoloindans and thiazolobenzopyrans: a novel class of orally active central dopamine (partial) agonists. J Med Chem 43: 3549-57 (2000)
- Wang, K; Xu, W; Zhang, W; Mo, M; Wang, Y; Shen, J Triazole derivatives: a series of Darapladib analogues as orally active Lp-PLA2 inhibitors. Bioorg Med Chem Lett 23: 2897-901 (2013)
- Chatron, N; Boulven, M; Montagut-Romans, A; Ponsot, F; Jacolot, M; Caruel, H; Benoît, E; Popowycz, F; Lattard, V Design of a structure-activity relationship model of vitamin K epoxide reductase (VKORC1) inhibitors combining chemical synthesis of new compounds, enzymatic assays and molecular modelling. Bioorg Med Chem 94: (2023)
- Neukirch, K; Alsabil, K; Dinh, CP; Bilancia, R; Raasch, M; Ville, A; Cerqua, I; Viault, G; Bréard, D; Pace, S; Temml, V; Brunner, E; Jordan, PM; Marques, MC; Loeser, K; Gollowitzer, A; Permann, S; Gerstmeier, J; Lorkowski, S; Stuppner, H; Garscha, U; Rodrigues, T; Bernardes, GJL; Schuster, D; Séraphin, D; Richomme, P; Rossi, A; Mosig, AS; Roviezzo, F; Werz, O; Helesbeux, JJ; Koeberle, A Exploration of Long-Chain Vitamin E Metabolites for the Discovery of a Highly Potent, Orally Effective, and Metabolically Stable 5-LOX Inhibitor that Limits Inflammation. J Med Chem 64: 11496-11526 (2021)
- Coelho Cerqueira, E; Netz, PA; Diniz, C; Petry do Canto, V; Follmer, C Molecular insights into human monoamine oxidase (MAO) inhibition by 1,4-naphthoquinone: evidences for menadione (vitamin K3) acting as a competitive and reversible inhibitor of MAO. Bioorg Med Chem 19: 7416-24 (2011)
- Marfat, A; Chambers, R; Cheng, J; Cooper, K; Damon, D; Delehunt, J; Eggler, J; Masamune, H; Melvin, L; Watson, J The discovery of CP-96,021 and CP-96,486, balanced, combined, potent and orally active leukotriene D4 (LTD4)/platelet activating factor (PAF) receptor antagonists. Bioorg Med Chem Lett 5: 1377-1382 (1995)
- Gupta, N; Pons, V; Noël, R; Buisson, DA; Michau, A; Johannes, L; Gillet, D; Barbier, J; Cintrat, JC (S)-N-Methyldihydroquinazolinones are the Active Enantiomers of Retro-2 Derived Compounds against Toxins. ACS Med Chem Lett 5: 94-7 (2014)
- Colandrea, VJ; Legiec, IE; Huo, P; Yan, L; Hale, JJ; Mills, SG; Bergstrom, J; Card, D; Chebret, G; Hajdu, R; Keohane, CA; Milligan, JA; Rosenbach, MJ; Shei, GJ; Mandala, SM 2,5-Disubstituted pyrrolidine carboxylates as potent, orally active sphingosine-1-phosphate (S1P) receptor agonists. Bioorg Med Chem Lett 16: 2905-8 (2006)
- Pelletier, JC; Chengalvala, M; Cottom, J; Feingold, I; Garrick, L; Green, D; Hauze, D; Huselton, C; Jetter, J; Kao, W; Kopf, GS; Lundquist, JT; Mann, C; Mehlmann, J; Rogers, J; Shanno, L; Wrobel, J 2-phenyl-4-piperazinylbenzimidazoles: orally active inhibitors of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem 16: 6617-40 (2008)
- Kaelin, DE; Smenton, AL; Eiermann, GJ; He, H; Leiting, B; Lyons, KA; Patel, RA; Patel, SB; Petrov, A; Scapin, G; Wu, JK; Thornberry, NA; Weber, AE; Duffy, JL 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett 17: 5806-11 (2007)
- Winters, MP; Robinson, DJ; Khine, HH; Pullen, SS; Woska, JR; Raymond, EL; Sellati, R; Cywin, CL; Snow, RJ; Kashem, MA; Wolak, JP; King, J; Kaplita, PV; Liu, LH; Farrell, TM; DesJarlais, R; Roth, GP; Takahashi, H; Moriarty, KJ 5-Aminomethyl-1H-benzimidazoles as orally active inhibitors of inducible T-cell kinase (Itk). Bioorg Med Chem Lett 18: 5541-4 (2008)
- Eram, MS; Shen, Y; Szewczyk, MM; Wu, H; Senisterra, G; Li, F; Butler, KV; Kaniskan, Hÿ; Speed, BA; Dela Seña, C; Dong, A; Zeng, H; Schapira, M; Brown, PJ; Arrowsmith, CH; Barsyte-Lovejoy, D; Liu, J; Vedadi, M; Jin, J A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. ACS Chem Biol 11: 772-81 (2016)
- de Souza, NJ; Gupte, SV; Deshpande, PK; Desai, VN; Bhawsar, SB; Yeole, RD; Shukla, MC; Strahilevitz, J; Hooper, DC; Bozdogan, B; Appelbaum, PC; Jacobs, MR; Shetty, N; Patel, MV; Jha, R; Khorakiwala, HF A chiral benzoquinolizine-2-carboxylic acid arginine salt active against vancomycin-resistant Staphylococcus aureus. J Med Chem 48: 5232-42 (2005)
- de Laszlo, SE; Quagliato, CS; Greenlee, WJ; Patchett, AA; Chang, RS; Lotti, VJ; Chen, TB; Scheck, SA; Faust, KA; Kivlighn, SS A potent, orally active, balanced affinity angiotensin II AT1 antagonist and AT2 binding inhibitor. J Med Chem 36: 3207-10 (1993)
- A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3).
- Wang, EJ; Casciano, CN; Clement, RP; Johnson, WW Active transport of fluorescent P-glycoprotein substrates: evaluation as markers and interaction with inhibitors. Biochem Biophys Res Commun 289: 580-5 (2001)
- Elsebaei, MM; Mohammad, H; Abouf, M; Abutaleb, NS; Hegazy, YA; Ghiaty, A; Chen, L; Zhang, J; Malwal, SR; Oldfield, E; Seleem, MN; Mayhoub, AS Alkynyl-containing phenylthiazoles: Systemically active antibacterial agents effective against methicillin-resistant Staphylococcus aureus (MRSA). Eur J Med Chem 148: 195-209 (2018)
- Cee, VJ; Albrecht, BK; Geuns-Meyer, S; Hughes, P; Bellon, S; Bready, J; Caenepeel, S; Chaffee, SC; Coxon, A; Emery, M; Fretland, J; Gallant, P; Gu, Y; Hodous, BL; Hoffman, D; Johnson, RE; Kendall, R; Kim, JL; Long, AM; McGowan, D; Morrison, M; Olivieri, PR; Patel, VF; Polverino, A; Powers, D; Rose, P; Wang, L; Zhao, H Alkynylpyrimidine amide derivatives as potent, selective, and orally active inhibitors of Tie-2 kinase. J Med Chem 50: 627-40 (2007)
- Swarbrick, C; Zogali, V; Chan, KWK; Kiousis, D; Gwee, CP; Wang, S; Lescar, J; Luo, D; von Itzstein, M; Matsoukas, MT; Panagiotakopoulos, G; Vasudevan, SG; Rassias, G Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease. Eur J Med Chem 224: (2021)
- Suh, JT; Skiles, JW; Williams, BE; Youssefyeh, RD; Jones, H; Loev, B; Neiss, ES; Schwab, A; Mann, WS; Khandwala, A Angiotensin-converting enzyme inhibitors. New orally active antihypertensive (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives. J Med Chem 28: 57-66 (1985)
- Manfredi, MG; Ecsedy, JA; Meetze, KA; Balani, SK; Burenkova, O; Chen, W; Galvin, KM; Hoar, KM; Huck, JJ; LeRoy, PJ; Ray, ET; Sells, TB; Stringer, B; Stroud, SG; Vos, TJ; Weatherhead, GS; Wysong, DR; Zhang, M; Bolen, JB; Claiborne, CF Antitumor activity of MLN8054, an orally active small-molecule inhibitor of Aurora A kinase. Proc Natl Acad Sci U S A 104: 4106-11 (2007)
- Carcache, D; Vranesic, I; Blanz, J; Desrayaud, S; Fendt, M Benzimidazoles as Potent and Orally Active mGlu5 Receptor Antagonists with an Improved PK Profile ACS Med Chem Lett 2: 58-62 (2011)
- McGaughey, GB; Colussi, D; Graham, SL; Lai, MT; Munshi, SK; Nantermet, PG; Pietrak, B; Rajapakse, HA; Selnick, HG; Stauffer, SR; Holloway, MK Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites. Bioorg Med Chem Lett 17: 1117-21 (2007)
- Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme. Bioorg Med Chem Lett 13: 3685-8 (2003)
- Clemente, JC; Moose, RE; Hemrajani, R; Whitford, LR; Govindasamy, L; Reutzel, R; McKenna, R; Agbandje-McKenna, M; Goodenow, MM; Dunn, BM Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease. Biochemistry 43: 12141-51 (2004)
- El Bakali, J; Muccioli, GG; Body-Malapel, M; Djouina, M; Klupsch, F; Ghinet, A; Barczyk, A; Renault, N; Chavatte, P; Desreumaux, P; Lambert, DM; Millet, R Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis. ACS Med Chem Lett 6: 198-203 (2015)
- Gampe, C; Verma, VA Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients. J Med Chem 63: 14357-14381 (2020)
- Mallik, B; Katragadda, M; Spruce, LA; Carafides, C; Tsokos, CG; Morikis, D; Lambris, JD Design and NMR characterization of active analogues of compstatin containing non-natural amino acids. J Med Chem 48: 274-86 (2005)
- Brink, M; Dahlén, A; Olsson, T; Polla, M; Svensson, T Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa). Bioorg Med Chem 22: 2261-8 (2014)
- Pettersson, M; Johnson, DS; Subramanyam, C; Bales, KR; am Ende, CW; Fish, BA; Green, ME; Kauffman, GW; Lira, R; Mullins, PB; Navaratnam, T; Sakya, SM; Stiff, CM; Tran, TP; Vetelino, BC; Xie, L; Zhang, L; Pustilnik, LR; Wood, KM; O'Donnell, CJ Design and synthesis of dihydrobenzofuran amides as orally bioavailable, centrally active¿-secretase modulators. Bioorg Med Chem Lett 22: 2906-11 (2012)
- Tashima, T; Murata, H; Kodama, H Design and synthesis of novel and highly-active pan-histone deacetylase (pan-HDAC) inhibitors. Bioorg Med Chem 22: 3720-31 (2014)
- Li, HZ; Shao, XX; Shou, LL; Li, N; Liu, YL; Xu, ZG; Guo, ZY Development of Esterase-Resistant and Highly Active Ghrelin Analogs via Thiol-Ene Click Chemistry. ACS Med Chem Lett 13: 1655-1662 (2022)
- Birch, AM; Kenny, PW; Oikonomakos, NG; Otterbein, L; Schofield, P; Whittamore, PR; Whalley, DP Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett 17: 394-9 (2007)
- Kontopidis, G; McInnes, C; Pandalaneni, SR; McNae, I; Gibson, D; Mezna, M; Thomas, M; Wood, G; Wang, S; Walkinshaw, MD; Fischer, PM Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design. Chem Biol 13: 201-11 (2006)
- Rai, G; Brimacombe, KR; Mott, BT; Urban, DJ; Hu, X; Yang, SM; Lee, TD; Cheff, DM; Kouznetsova, J; Benavides, GA; Pohida, K; Kuenstner, EJ; Luci, DK; Lukacs, CM; Davies, DR; Dranow, DM; Zhu, H; Sulikowski, G; Moore, WJ; Stott, GM; Flint, AJ; Hall, MD; Darley-Usmar, VM; Neckers, LM; Dang, CV; Waterson, AG; Simeonov, A; Jadhav, A; Maloney, DJ Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem 60: 9184-9204 (2017)
- Sweis, RF; Wang, Z; Algire, M; Arrowsmith, CH; Brown, PJ; Chiang, GG; Guo, J; Jakob, CG; Kennedy, S; Li, F; Maag, D; Shaw, B; Soni, NB; Vedadi, M; Pappano, WN Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2. ACS Med Chem Lett 6: 695-700 (2015)
- Vickers, CJ; Olsen, CA; Leman, LJ; Ghadiri, MR Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group. ACS Med Chem Lett 3: 505-508 (2012)
- Tu, W; Yang, F; Xu, G; Chi, J; Liu, Z; Peng, W; Hu, B; Zhang, L; Wan, H; Yu, N; Jin, F; Hu, Q; Zhang, L; He, F; Tao, W Discovery of Imidazoisoindole Derivatives as Highly Potent and Orally Active Indoleamine-2,3-dioxygenase Inhibitors. ACS Med Chem Lett 10: 949-953 (2019)
- Degnan, AP; Kumi, GK; Allard, CW; Araujo, EV; Johnson, WL; Zimmermann, K; Pearce, BC; Sheriff, S; Futran, A; Li, X; Locke, GA; You, D; Morrison, J; Parrish, KE; Stromko, C; Murtaza, A; Liu, J; Johnson, BM; Vite, GD; Wittman, MD Discovery of Orally Active Isofuranones as Potent, Selective Inhibitors of Hematopoetic Progenitor Kinase 1. ACS Med Chem Lett 12: 443-450 (2021)
- Liu, J; Sun, B; Zhao, X; Xing, J; Gao, Y; Chang, W; Ji, J; Zheng, H; Cui, C; Ji, A; Lou, H Discovery of Potent Orally Active Protease-Activated Receptor 1 (PAR1) Antagonists Based on Andrographolide. J Med Chem 60: 7166-7185 (2017)
- Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.
- Wu, C; Chan, MF; Stavros, F; Raju, B; Okun, I; Mong, S; Keller, KM; Brock, T; Kogan, TP; Dixon, RA Discovery of TBC11251, a potent, long acting, orally active endothelin receptor-A selective antagonist. J Med Chem 40: 1690-7 (1997)
- Li, H; Anderes, KL; Kraynov, EA; Luthin, DR; Do, QQ; Hong, Y; Tompkins, E; Sun, ET; Rajapakse, R; Pathak, VP; Christie, LC; Feng, J; Vazir, H; Castillo, R; Gregory, ML; Castro, M; Nared-Hood, K; Paderes, G; Anderson, MB Discovery of a novel, orally active, small molecule gonadotropin-releasing hormone (GnRH) receptor antagonist. J Med Chem 49: 3362-7 (2006)
- Giroux, A; Boulet, L; Brideau, C; Chau, A; Claveau, D; Côté, B; Ethier, D; Frenette, R; Gagnon, M; Guay, J; Guiral, S; Mancini, J; Martins, E; Massé, F; Méthot, N; Riendeau, D; Rubin, J; Xu, D; Yu, H; Ducharme, Y; Friesen, RW Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors. Bioorg Med Chem Lett 19: 5837-41 (2009)
- Mehrotra, MM; Heath, JA; Smyth, MS; Pandey, A; Rose, JW; Seroogy, JM; Volkots, DL; Nannizzi-Alaimo, L; Park, GL; Lambing, JL; Hollenbach, SJ; Scarborough, RM Discovery of novel 2,8-diazaspiro[4.5]decanes as orally active glycoprotein IIb-IIIa antagonists. J Med Chem 47: 2037-61 (2004)
- Xu, J; Lin, S; Myers, RW; Trujillo, ME; Pachanski, MJ; Malkani, S; Chen, HS; Chen, Z; Campbell, B; Eiermann, GJ; Elowe, N; Farrer, BT; Feng, W; Fu, Q; Kats-Kagan, R; Kavana, M; McMasters, DR; Mitra, K; Tong, X; Xu, L; Zhang, F; Zhang, R; Addona, GH; Berger, JP; Zhang, B; Parmee, ER Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus. Bioorg Med Chem Lett 27: 2063-2068 (2017)
- Yang, SW; Smotryski, J; McElroy, WT; Tan, Z; Ho, G; Tulshian, D; Greenlee, WJ; Guzzi, M; Zhang, X; Mullins, D; Xiao, L; Hruza, A; Chan, TM; Rindgen, D; Bleickardt, C; Hodgson, R Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg Med Chem Lett 22: 235-9 (2011)
- Cheruvallath, ZS; Gwaltney, SL; Sabat, M; Tang, M; Wang, H; Jennings, A; Hosfield, D; Lee, B; Wu, Y; Halkowycz, P; Grimshaw, CE Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators. Bioorg Med Chem Lett 27: 2678-2682 (2017)
- Dai, X; Stamford, A; Liu, H; Neustadt, B; Hao, J; Kowalski, T; Hawes, B; Xu, X; Baker, H; O'Neill, K; Woods, M; Tang, H; Greenlee, W Discovery of the oxazabicyclo[3.3.1]nonane derivatives as potent and orally active GPR119 agonists. Bioorg Med Chem Lett 25: 5291-4 (2015)
- Gomez-Monterrey, I; Turcaud, S; Lucas, E; Bruetschy, L; Roques, BP; Fournié-Zaluski, MC Exploration of neutral endopeptidase active site by a series of new thiol-containing inhibitors. J Med Chem 36: 87-94 (1993)
- Grunewald, GL; Seim, MR; Regier, RC; Criscione, KR Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors. Bioorg Med Chem 15: 1298-310 (2007)
- Barth, M; Bondoux, M; Luccarini, JM; Peyrou, V; Dodey, P; Pruneau, D; Massardier, C; Paquet, JL From bradykinin B2 receptor antagonists to orally active and selective bradykinin B1 receptor antagonists. J Med Chem 55: 2574-84 (2012)
- Chelliah, MV; Chackalamannil, S; Xia, Y; Eagen, K; Clasby, MC; Gao, X; Greenlee, W; Ahn, HS; Agans-Fantuzzi, J; Boykow, G; Hsieh, Y; Bryant, M; Palamanda, J; Chan, TM; Hesk, D; Chintala, M Heterotricyclic himbacine analogs as potent, orally active thrombin receptor (protease activated receptor-1) antagonists. J Med Chem 50: 5147-60 (2007)
- Jacobsson, M; Gäredal, M; Schultz, J; Karlén, A Identification of Plasmodium falciparum spermidine synthase active site binders through structure-based virtual screening. J Med Chem 51: 2777-86 (2008)
- Ceyhan, O; Birsoy, K; Hoffman, CS Identification of biologically active PDE11-selective inhibitors using a yeast-based high-throughput screen. Chem Biol 19: 155-63 (2012)
- PubChem, PC In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase PubChem Bioassay (2006)
- PubChem, PC In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of DTT PubChem Bioassay (2006)
- PubChem, PC In vitro MKP-3 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase PubChem Bioassay (2006)
- McKee, TC; Rabe, D; Bokesch, HR; Grkovic, T; Whitson, EL; Diyabalanage, T; Van Wyk, AW; Marcum, SR; Gardella, RS; Gustafson, KR; Linehan, WM; McMahon, JB; Bottaro, DP Inhibition of hypoxia inducible factor-2 transcription: isolation of active modulators from marine sponges. J Nat Prod 75: 1632-6 (2012)
- Shi, Y; Zhang, J; Stein, PD; Shi, M; O'Connor, SP; Bisaha, SN; Li, C; Atwal, KS; Bisacchi, GS; Sitkoff, D; Pudzianowski, AT; Liu, EC; Hartl, KS; Seiler, SM; Youssef, S; Steinbacher, TE; Schumacher, WA; Rendina, AR; Bozarth, JM; Peterson, TL; Zhang, G; Zahler, R Ketene aminal-based lactam derivatives as a novel class of orally active FXa inhibitors. Bioorg Med Chem Lett 15: 5453-8 (2005)
- LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
- Palomer, A; Pérez, JJ; Navea, S; Llorens, O; Pascual, J; García, L; Mauleón, D Modeling cyclooxygenase inhibition. Implication of active site hydration on the selectivity of ketoprofen analogues. J Med Chem 43: 2280-4 (2000)
- Tilley, JW; Levitan, P; Lind, J; Welton, AF; Crowley, HJ; Tobias, LD; O'Donnell, M N-(heterocyclic alkyl)pyrido[2,1-b]quinazoline-8-carboxamides as orally active antiallergy agents. J Med Chem 30: 185-93 (1987)
- Salimbeni, A; Canevotti, R; Paleari, F; Poma, D; Caliari, S; Fici, F; Cirillo, R; Renzetti, AR; Subissi, A; Belvisi, L N-3-substituted pyrimidinones as potent, orally active, AT1 selective angiotensin II receptor antagonists. J Med Chem 38: 4806-20 (1996)
- Gomez-Monterrey, I; Beaumont, A; Nemecek, P; Roques, BP; Fournie-Zaluski, MC New thiol inhibitors of neutral endopeptidase EC 3.4.24.11: synthesis and enzyme active-site recognition. J Med Chem 37: 1865-73 (1994)
- Fensome, A; Koko, M; Wrobel, J; Zhang, P; Zhang, Z; Cohen, J; Lundeen, S; Rudnick, K; Zhu, Y; Winneker, R Novel 5-aryl-1,3-dihydro-indole-2-thiones. potent, orally active progesterone receptor agonists. Bioorg Med Chem Lett 13: 1317-20 (2003)
- Takahashi, B; Funami, H; Iwaki, T; Maruoka, H; Shibata, M; Koyama, M; Nagahira, A; Kamiide, Y; Kanki, S; Igawa, Y; Muto, T Orally active ghrelin receptor inverse agonists and their actions on a rat obesity model. Bioorg Med Chem 23: 4792-803 (2015)
- Kimura, Y; Hatanaka, K; Naitou, Y; Maeno, K; Shimada, I; Koakutsu, A; Wanibuchi, F; Yamaguchi, T Pharmacological profile of YM348, a novel, potent and orally active 5-HT2C receptor agonist. Eur J Pharmacol 483: 37-43 (2004)
- Gray, WT; Frey, KM; Laskey, SB; Mislak, AC; Spasov, KA; Lee, WG; Bollini, M; Siliciano, RF; Jorgensen, WL; Anderson, KS Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance. ACS Med Chem Lett 6: 1075-9 (2015)
- Mylari, BL; Beyer, TA; Scott, PJ; Aldinger, CE; Dee, MF; Siegel, TW; Zembrowski, WJ Potent, orally active aldose reductase inhibitors related to zopolrestat: surrogates for benzothiazole side chain. J Med Chem 35: 457-65 (1992)
- Esler, WP; Das, C; Wolfe, MS Probing pockets S2-S4' of the gamma-secretase active site with (hydroxyethyl)urea peptidomimetics. Bioorg Med Chem Lett 14: 1935-8 (2004)
- Wang, E; Lew, K; Barecki, M; Casciano, CN; Clement, RP; Johnson, WW Quantitative distinctions of active site molecular recognition by P-glycoprotein and cytochrome P450 3A4. Chem Res Toxicol 14: 1596-603 (2001)
- Reitz, DB; Li, JJ; Norton, MB; Reinhard, EJ; Collins, JT; Anderson, GD; Gregory, SA; Koboldt, CM; Perkins, WE; Seibert, K Selective cyclooxygenase inhibitors: novel 1,2-diarylcyclopentenes are potent and orally active COX-2 inhibitors. J Med Chem 37: 3878-81 (1994)
- Khanna, IK; Yu, Y; Huff, RM; Weier, RM; Xu, X; Koszyk, FJ; Collins, PW; Cogburn, JN; Isakson, PC; Koboldt, CM; Masferrer, JL; Perkins, WE; Seibert, K; Veenhuizen, AW; Yuan, J; Yang, DC; Zhang, YY Selective cyclooxygenase-2 inhibitors: heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents. J Med Chem 43: 3168-85 (2000)
- Caciolla, J; Martini, S; Spinello, A; Belluti, F; Bisi, A; Zaffaroni, N; Magistrato, A; Gobbi, S Single-digit nanomolar inhibitors lock the aromatase active site via a dualsteric targeting strategy. Eur J Med Chem 244: (2022)
- Patt, WC; Edmunds, JJ; Repine, JT; Berryman, KA; Reisdorph, BR; Lee, C; Plummer, MS; Shahripour, A; Haleen, SJ; Keiser, JA; Flynn, MA; Welch, KM; Reynolds, EE; Rubin, R; Tobias, B; Hallak, H; Doherty, AM Structure-activity relationships in a series of orally active gamma-hydroxy butenolide endothelin antagonists. J Med Chem 40: 1063-74 (1997)
- Wustrow, DJ; Wise, LD; Cody, DM; MacKenzie, RG; Georgic, LM; Pugsley, TA; Heffner, TG Studies of the active conformation of a novel series of benzamide dopamine D2 agonists. J Med Chem 37: 4251-7 (1995)
- Tsuji, T; Suzuki, K; Nakamura, T; Goto, T; Sekiguchi, Y; Ikeda, T; Fukuda, T; Takemoto, T; Mizuno, Y; Kimura, T; Kawase, Y; Nara, F; Kagari, T; Shimozato, T; Yahara, C; Inaba, S; Honda, T; Izumi, T; Tamura, M; Nishi, T Synthesis and SAR studies of benzyl ether derivatives as potent orally active S1P1 agonists. Bioorg Med Chem 22: 4246-56 (2014)
- Masuda, T; Shibuya, S; Arai, M; Yoshida, S; Tomozawa, T; Ohno, A; Yamashita, M; Honda, T Synthesis and anti-influenza evaluation of orally active bicyclic ether derivatives related to zanamivir. Bioorg Med Chem Lett 13: 669-73 (2003)
- Kagayama, K; Morimoto, T; Nagata, S; Katoh, F; Zhang, X; Inoue, N; Hashino, A; Kageyama, K; Shikaura, J; Niwa, T Synthesis and biological evaluation of novel phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors. Bioorg Med Chem 17: 6959-70 (2009)
- Yan, G; Zhong, X; Pu, C; Yue, L; Shan, H; Lan, S; Zhou, M; Hou, X; Yang, J; Li, D; Fan, S; Li, R Targeting Cysteine Located Outside the Active Site: An Effective Strategy for Covalent ALKi Design. J Med Chem 64: 1558-1569 (2021)
- Leftheris, K; Ahmed, G; Chan, R; Dyckman, AJ; Hussain, Z; Ho, K; Hynes, J; Letourneau, J; Li, W; Lin, S; Metzger, A; Moriarty, KJ; Riviello, C; Shimshock, Y; Wen, J; Wityak, J; Wrobleski, ST; Wu, H; Wu, J; Desai, M; Gillooly, KM; Lin, TH; Loo, D; McIntyre, KW; Pitt, S; Shen, DR; Shuster, DJ; Zhang, R; Diller, D; Doweyko, A; Sack, J; Baldwin, J; Barrish, J; Dodd, J; Henderson, I; Kanner, S; Schieven, GL; Webb, M The discovery of orally active triaminotriazine aniline amides as inhibitors of p38 MAP kinase. J Med Chem 47: 6283-91 (2004)
- Baldwin, JJ; Ponticello, GS; Anderson, PS; Christy, ME; Murcko, MA; Randall, WC; Schwam, H; Sugrue, MF; Springer, JP; Gautheron, P Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma. J Med Chem 32: 2510-3 (1989)
- Tabata, H; Yoneda, T; Oshitari, T; Takahashi, H; Natsugari, H Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form. J Med Chem 60: 4503-4509 (2017)
- Chen, YL; Hedberg, K Total synthesis of an optically active 8-carba-physostigmine analog: a potent acetylcholinesterase inhibitor Bioorg Med Chem Lett 1: 47-50 (1991)
- Aicher, TD; Anderson, RC; Bebernitz, GR; Coppola, GM; Jewell, CF; Knorr, DC; Liu, C; Sperbeck, DM; Brand, LJ; Strohschein, RJ; Gao, J; Vinluan, CC; Shetty, SS; Dragland, C; Kaplan, EL; DelGrande, D; Islam, A; Liu, X; Lozito, RJ; Maniara, WM; Walter, RE; Mann, WR (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionamides are orally active inhibitors of pyruvate dehydrogenase kinase. J Med Chem 42: 2741-6 (1999)
- Rewinkel, JB; Lucas, H; van Galen, PJ; Noach, AB; van Dinther, TG; Rood, AM; Jenneboer, AJ; van Boeckel, CA 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett 9: 685-90 (1999)
- Brooks, DW; Albert, DH; Dyer, RD; Bouska, JB; Young, P; Rotert, G; Machinist, JM; Carter, GW 1-Phenyl-[2H]-tetrahydropyridazin-3-one, A-53612, a selective orally active 5-lipoxygenase inhibitor Bioorg Med Chem Lett 2: 1353-1356 (1992)
- Lubczyk, V; Bachmann, H; Gust, R Antiestrogenically active 1,1,2-tris(4-hydroxyphenyl)alkenes without basic side chain: synthesis and biological activity. J Med Chem 46: 1484-91 (2003)
- Tong, Y; Florjancic, AS; Clark, RF; Lai, C; Mastracchio, A; Zhu, GD; Smith, ML; Kovar, PJ; Shaw, B; Albert, DH; Qiu, W; Longenecker, KL; Liu, X; Olson, AM; Osterling, DJ; Tahir, SK; Phillips, DC; Leverson, JD; Souers, AJ; Penning, TD Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. ACS Med Chem Lett 12: 1108-1115 (2021)
- Ahn, JH; Pagire, HS; Rhee, SD; Kim, KY; Jung, WH; Bae, M; Song, JS; Kim, K; Kwak, HJ Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient US Patent US9321728 (2016)
- Gubiani, JR; Zeraik, ML; Oliveira, CM; Ximenes, VF; Nogueira, CR; Fonseca, LM; Silva, DH; Bolzani, VS; Araujo, AR Biologically active eremophilane-type sesquiterpenes from Camarops sp., an endophytic fungus isolated from Alibertia macrophylla. J Nat Prod 77: 668-72 (2014)
- Alexander, RP; Warrellow, GJ; Eaton, MA; Boyd, EC; Head, JC; Porter, JR; Brown, JA; Reuberson, JT; Hutchinson, B; Turner, P; Boyce, B; Barnes, D; Mason, B; Cannell, A; Taylor, RJ; Zomaya, A; Millican, A; Leonard, J; Morphy, R; Wales, M; Perry, M; Allen, RA; Gozzard, N; Hughes, B; Higgs, G CDP840. A prototype of a novel class of orally active anti-inflammatory phosphodiesterase 4 inhibitors. Bioorg Med Chem Lett 12: 1451-6 (2002)
- Kotani, T; Higashiura, K Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR. J Med Chem 47: 2732-42 (2004)
- Park, KH; Eom, SH; Ryu, YB; Cho, JK Composition for suppressing neuraminidase activity comprising geranylated flavonoid derived from Paulownia tomentosa as active ingredient US Patent US10406136 (2019)
- Meurer, LC; Finke, PE; Owens, KA; Tsou, NN; Ball, RG; Mills, SG; Maccoss, M; Sadowski, S; Cascieri, MA; Tsao, KL; Chicchi, GG; Egger, LA; Luell, S; Metzger, JM; Macintyre, DE; Rupniak, NM; Williams, AR; Hargreaves, RJ Cyclopentane-based human NK1 antagonists. Part 2: development of potent, orally active, water-soluble derivatives. Bioorg Med Chem Lett 16: 4504-11 (2006)
- van Maarseveen, JH; den Hartog, JA; Tipker, K; Reinders, JH; Brakkee, J; Schön, U; Kehrbach, W; Kruse, CG Design and synthesis of an orally active GPIIb/IIIa antagonist based on a phenylpiperazine scaffold. Bioorg Med Chem Lett 8: 1531-6 (1998)
- Bowers, S; Truong, AP; Ye, M; Aubele, DL; Sealy, JM; Neitz, RJ; Hom, RK; Chan, W; Dappen, MS; Galemmo, RA; Konradi, AW; Sham, HL; Zhu, YL; Beroza, P; Tonn, G; Zhang, H; Hoffman, J; Motter, R; Fauss, D; Tanaka, P; Bova, MP; Ren, Z; Tam, D; Ruslim, L; Baker, J; Pandya, D; Diep, L; Fitzgerald, K; Artis, DR; Anderson, JP; Bergeron, M Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors. Bioorg Med Chem Lett 23: 2743-9 (2013)
- Lade, DM; Nicoletti, R; Mersch, J; Agazie, YM Design and synthesis of improved active-site SHP2 inhibitors with anti-breast cancer cell effects. Eur J Med Chem 247: (2023)
- Liu, P; Hu, Z; DuBois, BG; Moyes, CR; Hunter, DN; Zhu, C; Kar, NF; Zhu, Y; Garfunkle, J; Kang, L; Chicchi, G; Ehrhardt, A; Woods, A; Seo, T; Woods, M; van Heek, M; Dingley, KH; Pang, J; Salituro, GM; Powell, J; Terebetski, JL; Hornak, V; Campeau, LC; Lamberson, J; Ujjainwalla, F; Miller, M; Stamford, A; Wood, HB; Kowalski, T; Nargund, RP; Edmondson, SD Design of Potent and Orally Active GPR119 Agonists for the Treatment of Type II Diabetes. ACS Med Chem Lett 6: 936-41 (2015)
- Jin, H; Cai, RZ; Schacherer, L; Jabri, S; Tsiang, M; Fardis, M; Chen, X; Chen, JM; Kim, CU Design, synthesis, and SAR studies of novel and highly active tri-cyclic HIV integrase inhibitors. Bioorg Med Chem Lett 16: 3989-92 (2006)
- Bulaj, G; Green, BR; Lee, HK; Robertson, CR; White, K; Zhang, L; Sochanska, M; Flynn, SP; Scholl, EA; Pruess, TH; Smith, MD; White, HS Design, synthesis, and characterization of high-affinity, systemically-active galanin analogues with potent anticonvulsant activities. J Med Chem 51: 8038-47 (2008)
- Velcicky, J; Miltz, W; Oberhauser, B; Orain, D; Vaupel, A; Weigand, K; Dawson King, J; Littlewood-Evans, A; Nash, M; Feifel, R; Loetscher, P Development of Selective, Orally Active GPR4 Antagonists with Modulatory Effects on Nociception, Inflammation, and Angiogenesis. J Med Chem 60: 3672-3683 (2017)
- Galley, G; Beurier, A; Décoret, G; Goergler, A; Hutter, R; Mohr, S; Pähler, A; Schmid, P; Türck, D; Unger, R; Zbinden, KG; Hoener, MC; Norcross, RD Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. ACS Med Chem Lett 7: 192-7 (2016)
- Balestri, LJI; Trivisani, CI; Orofino, F; Fiorucci, D; Truglio, GI; D'Agostino, I; Poggialini, F; Botta, L; Docquier, JD; Dreassi, E Discovery and Optimization of a Novel Macrocyclic Amidinourea Series Active as Acidic Mammalian Chitinase Inhibitors. ACS Med Chem Lett 14: 417-424 (2023)
- Bharate, SB; Kumar, V; Jain, SK; Mintoo, MJ; Guru, SK; Nuthakki, VK; Sharma, M; Bharate, SS; Gandhi, SG; Mondhe, DM; Bhushan, S; Vishwakarma, RA Discovery and Preclinical Development of IIIM-290, an Orally Active Potent Cyclin-Dependent Kinase Inhibitor. J Med Chem 61: 1664-1687 (2018)
- Edwards, PD; Andisik, DW; Bryant, CA; Ewing, B; Gomes, B; Lewis, JJ; Rakiewicz, D; Steelman, G; Strimpler, A; Trainor, DA; Tuthill, PA; Mauger, RC; Veale, CA; Wildonger, RA; Williams, JC; Wolanin, DJ; Zottola, M Discovery and biological activity of orally active peptidyl trifluoromethyl ketone inhibitors of human neutrophil elastase. J Med Chem 40: 1876-85 (1997)
- Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. J Med Chem 48: 7882-905 (2005)
- Riechers, H; Albrecht, HP; Amberg, W; Baumann, E; Bernard, H; Böhm, HJ; Klinge, D; Kling, A; Müller, S; Raschack, M; Unger, L; Walker, N; Wernet, W Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. J Med Chem 39: 2123-8 (1996)
- Guay, D; Hamel, P; Blouin, M; Brideau, C; Chan, CC; Chauret, N; Ducharme, Y; Huang, Z; Girard, M; Jones, TR; Laliberté, F; Masson, P; McAuliffe, M; Piechuta, H; Silva, J; Young, RN; Girard, Y Discovery of L-791,943: a potent, selective, non emetic and orally active phosphodiesterase-4 inhibitor. Bioorg Med Chem Lett 12: 1457-61 (2002)
- Zettl, H; Steri, R; Lämmerhofer, M; Schubert-Zsilavecz, M Discovery of a novel class of 2-mercaptohexanoic acid derivatives as highly active PPARalpha agonists. Bioorg Med Chem Lett 19: 4421-6 (2009)
- Aguilar, N; Mir, M; Grima, PM; López, M; Segarra, V; Esteban, L; Moreno, I; Godessart, N; Tarrasón, G; Domenech, T; Vilella, D; Armengol, C; Córdoba, M; Sabaté, M; Casals, D; Domínguez, M Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists. Bioorg Med Chem Lett 22: 7672-6 (2012)
- Sami, Y; Morita, M; Kubota, H; Hirabayashi, R; Seo, R; Nakagawa, N Discovery of a novel orally active TRPV4 inhibitor: Part 1. Optimization from an HTS hit. Bioorg Med Chem 27: 3775-3787 (2019)
- Dorsey, BD; Iqbal, M; Chatterjee, S; Menta, E; Bernardini, R; Bernareggi, A; Cassarà, PG; D'Arasmo, G; Ferretti, E; De Munari, S; Oliva, A; Pezzoni, G; Allievi, C; Strepponi, I; Ruggeri, B; Ator, MA; Williams, M; Mallamo, JP Discovery of a potent, selective, and orally active proteasome inhibitor for the treatment of cancer. J Med Chem 51: 1068-72 (2008)
- Stilz, HU; Guba, W; Jablonka, B; Just, M; Klingler, O; König, W; Wehner, V; Zoller, G Discovery of an orally active non-peptide fibrinogen receptor antagonist based on the hydantoin scaffold. J Med Chem 44: 1158-76 (2001)
- Pinard, E; Alberati, D; Bender, M; Borroni, E; Brom, V; Burner, S; Fischer, H; Hainzl, D; Halm, R; Hauser, N; Jolidon, S; Lengyel, J; Marty, HP; Meyer, T; Moreau, JL; Mory, R; Narquizian, R; Norcross, RD; Schmid, P; Wermuth, R; Zimmerli, D Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett 20: 6960-5 (2010)
- Imaeda, Y; Kuroita, T; Sakamoto, H; Kawamoto, T; Tobisu, M; Konishi, N; Hiroe, K; Kawamura, M; Tanaka, T; Kubo, K Discovery of imidazo[1,5-c]imidazol-3-ones: weakly basic, orally active factor Xa inhibitors. J Med Chem 51: 3422-36 (2008)
- Feng, S; Li, C; Chen, D; Zheng, X; Yun, H; Gao, L; Shen, HC Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem 138: 1147-1157 (2017)
- Hattori, K; Okitsu, O; Tabuchi, S; Taniguchi, K; Nishio, M; Koyama, S; Seki, J; Sakane, K Discovery of new diphenyloxazole derivatives containing a pyrrolidine ring: orally active prostacyclin mimetics. Part 2. Bioorg Med Chem Lett 15: 3279-83 (2005)
- Amaudrut, J; Argiriadi, MA; Barth, M; Breinlinger, EC; Bressac, D; Broqua, P; Calderwood, DJ; Chatar, M; Cusack, KP; Gauld, SB; Jacquet, S; Kamath, RV; Kort, ME; Lepais, V; Luccarini, JM; Masson, P; Montalbetti, C; Mounier, L; Potin, D; Poupardin, O; Rouaud, S; Spitzer, L; Wallace, CD Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active RORγ inverse agonists. Bioorg Med Chem Lett 29: 1799-1806 (2019)
- Monovich, LG; Tommasi, RA; Fujimoto, RA; Blancuzzi, V; Clark, K; Cornell, WD; Doti, R; Doughty, J; Fang, J; Farley, D; Fitt, J; Ganu, V; Goldberg, R; Goldstein, R; Lavoie, S; Kulathila, R; Macchia, W; Parker, DT; Melton, R; Oamppound39Byrne, E; Pastor, G; Pellas, T; Quadros, E; Reel, N; Roland, DM; Sakane, Y; Singh, H; Skiles, J; Somers, J; Toscano, K; Wigg, A; Zhou, S; Zhu, L; Shieh, WC; Xue, S; McQuire, LW Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. J Med Chem 52: 3523-38 (2009)
- Kramer, JS; Woltersdorf, S; Duflot, T; Hiesinger, K; Lillich, FF; Knöll, F; Wittmann, SK; Klingler, FM; Brunst, S; Chaikuad, A; Morisseau, C; Hammock, BD; Buccellati, C; Sala, A; Rovati, GE; Leuillier, M; Fraineau, S; Rondeaux, J; Hernandez-Olmos, V; Heering, J; Merk, D; Pogoryelov, D; Steinhilber, D; Knapp, S; Bellien, J; Proschak, E Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain. J Med Chem 62: 8443-8460 (2019)
- Mederski, WW; Dorsch, D; Osswald, M; Anzali, S; Christadler, M; Schmitges, CJ; Schelling, P; Wilm, C; Fluck, M Endothelin antagonists: discovery of EMD 122946, a highly potent and orally active ETA selective antagonist. Bioorg Med Chem Lett 8: 1771-6 (1999)
- Wu, S; Huang, Y; Wang, T; Li, K; Lu, J; Huang, M; Dong, G; Sheng, C Evodiamine-Inspired Topoisomerase-Histone Deacetylase Dual Inhibitors: Novel Orally Active Antitumor Agents for Leukemia Therapy. J Med Chem 65: 4818-4831 (2022)
- Menichincheri, M; Bargiotti, A; Berthelsen, J; Bertrand, JA; Bossi, R; Ciavolella, A; Cirla, A; Cristiani, C; Croci, V; Damppound39Alessio, R; Fasolini, M; Fiorentini, F; Forte, B; Isacchi, A; Martina, K; Molinari, A; Montagnoli, A; Orsini, P; Orzi, F; Pesenti, E; Pezzetta, D; Pillan, A; Poggesi, I; Roletto, F; Scolaro, A; Tatò, M; Tibolla, M; Valsasina, B; Varasi, M; Volpi, D; Santocanale, C; Vanotti, E First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J Med Chem 52: 293-307 (2009)
- de Vicente, J; Tivitmahaisoon, P; Berry, P; Bolin, DR; Carvajal, D; He, W; Huang, KS; Janson, C; Liang, L; Lukacs, C; Petersen, A; Qian, H; Yi, L; Zhuang, Y; Hermann, JC Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. ACS Med Chem Lett 6: 1019-24 (2015)
- Yoshikawa, K; Ohyama, T; Takahashi, E; Numajiri, Y; Konno, M; Moriyama, M; Takemi, N; Kunita, K; Nishimura, K; Hayashi, R Identification of alpha-substituted acylamines as novel, potent, and orally active mGluR5 negative allosteric modulators. Bioorg Med Chem Lett 25: 3135-41 (2015)
- Chiba, J; Machinaga, N; Takashi, T; Ejima, A; Takayama, G; Yokoyama, M; Nakayama, A; Baldwin, JJ; McDonald, E; Moriarty, KJ; Sarko, CR; Saionz, KW; Swanson, R; Hussain, Z; Wong, A Identified a morpholinyl-4-piperidinylacetic acid derivative as a potent oral active VLA-4 antagonist. Bioorg Med Chem Lett 15: 41-5 (2004)
- Trabanco, AA; Tresadern, G; Macdonald, GJ; Vega, JA; de Lucas, AI; Matesanz, E; García, A; Linares, ML; Alonso de Diego, SA; Alonso, JM; Oehlrich, D; Ahnaou, A; Drinkenburg, W; Mackie, C; Andrés, JI; Lavreysen, H; Cid, JM Imidazo[1,2-a]pyridines: orally active positive allosteric modulators of the metabotropic glutamate 2 receptor. J Med Chem 55: 2688-701 (2012)
- Maccari, R; Del Corso, A; Giglio, M; Moschini, R; Mura, U; Ottanà, R In vitro evaluation of 5-arylidene-2-thioxo-4-thiazolidinones active as aldose reductase inhibitors. Bioorg Med Chem Lett 21: 200-3 (2010)
- Pereira, UA; Barbosa, LC; Maltha, CR; Demuner, AJ; Masood, MA; Pimenta, AL Inhibition of Enterococcus faecalis biofilm formation by highly active lactones and lactams analogues of rubrolides. Eur J Med Chem 82: 127-38 (2014)
- Tryoen-Tóth, P; Décaillot, FM; Filliol, D; Befort, K; Lazarus, LH; Schiller, PW; Schmidhammer, H; Kieffer, BL Inverse agonism and neutral antagonism at wild-type and constitutively active mutant delta opioid receptors. J Pharmacol Exp Ther 313: 410-21 (2005)
- Mancuso, F; Di Fiore, A; De Luca, L; Angeli, A; Monti, SM; De Simone, G; Supuran, CT; Gitto, R Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms. ACS Med Chem Lett 11: 1000-1005 (2020)
- Dossi, K; Tsirkone, VG; Hayes, JM; Matousek, J; Poucková, P; Soucek, J; Zadinova, M; Zographos, SE; Leonidas, DD Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors. Eur J Med Chem 44: 4496-508 (2009)
- Geldenhuys, WJ; Lockman, PR; McAfee, JH; Fitzpatrick, KT; Van der Schyf, CJ; Allen, DD Molecular modeling studies on the active binding site of the blood-brain barrier choline transporter. Bioorg Med Chem Lett 14: 3085-92 (2004)
- Boyd, HF; Fell, SC; Flynn, ST; Hickey, DM; Ife, RJ; Leach, CA; Macphee, CH; Milliner, KJ; Moores, KE; Pinto, IL; Porter, RA; Rawlings, DA; Smith, SA; Stansfield, IG; Tew, DG; Theobald, CJ; Whittaker, CM N-1 substituted pyrimidin-4-ones: novel, orally active inhibitors of lipoprotein-associated phospholipase A2. Bioorg Med Chem Lett 10: 2557-61 (2001)
- Bing, DH Nature of the active site of a subunit of the first component of human complement. Biochemistry 8: 4503-10 (1969)
- Ballard, P; Barlaam, BC; Bradbury, RH; Dishington, A; Hennequin, LF; Hickinson, DM; Hollingsworth, IM; Kettle, JG; Klinowska, T; Ogilvie, DJ; Pearson, SE; Scott, JS; Suleman, A; Whittaker, R; Williams, EJ; Wood, R; Wright, L Neutral 5-substituted 4-anilinoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett 17: 6326-9 (2007)
- Barlaam, B; Acton, DG; Ballard, P; Bradbury, RH; Cross, D; Ducray, R; Germain, H; Hudson, K; Klinowska, T; Magnien, F; Ogilvie, DJ; Olivier, A; Ross, HS; Smith, R; Trigwell, CB; Vautier, M; Wright, L Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett 18: 1799-803 (2008)
- Jin, J; Morales-Ramos, A; Eidam, P; Mecom, J; Li, Y; Brooks, C; Hilfiker, M; Zhang, D; Wang, N; Shi, D; Tseng, PS; Wheless, K; Budzik, B; Evans, K; Jaworski, JP; Jugus, J; Leon, L; Wu, C; Pullen, M; Karamshi, B; Rao, P; Ward, E; Laping, N; Evans, C; Leach, C; Holt, D; Su, X; Morrow, D; Fries, H; Thorneloe, K; Edwards, R Novel 3-Oxazolidinedione-6-aryl-pyridinones as Potent, Selective, and Orally Active EP3 Receptor Antagonists. ACS Med Chem Lett 1: 316-320 (2010)
- Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
- Kevin, NJ; Duffy, JL; Kirk, BA; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Kuo, LC; Jin, L; Lin, JH; Emini, EA; Tata, JR Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir. Bioorg Med Chem Lett 13: 4027-30 (2003)
- Budzik, B; Garzya, V; Shi, D; Walker, G; Woolley-Roberts, M; Pardoe, J; Lucas, A; Tehan, B; Rivero, RA; Langmead, CJ; Watson, J; Wu, Z; Forbes, IT; Jin, J Novel N-Substituted Benzimidazolones as Potent, Selective, CNS-Penetrant, and Orally Active M1 mAChR Agonists. ACS Med Chem Lett 1: 244-248 (2010)
- Ishida, H; Isami, S; Matsumura, T; Umehara, H; Yamashita, Y; Kajita, J; Fuse, E; Kiyoi, H; Naoe, T; Akinaga, S; Shiotsu, Y; Arai, H Novel and orally active 5-(1,3,4-oxadiazol-2-yl)pyrimidine derivatives as selective FLT3 inhibitors. Bioorg Med Chem Lett 18: 5472-7 (2008)
- Martucci, WE; Udier-Blagovic, M; Atreya, C; Babatunde, O; Vargo, MA; Jorgensen, WL; Anderson, KS Novel non-active site inhibitor of Cryptosporidium hominis TS-DHFR identified by a virtual screen. Bioorg Med Chem Lett 19: 418-23 (2008)
- Ulven, T; Receveur, JM; Grimstrup, M; Rist, Ø; Frimurer, TM; Gerlach, LO; Mathiesen, JM; Kostenis, E; Uller, L; Högberg, T Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. J Med Chem 49: 6638-41 (2006)
- Goldberg, DR; Butz, T; Cardozo, MG; Eckner, RJ; Hammach, A; Huang, J; Jakes, S; Kapadia, S; Kashem, M; Lukas, S; Morwick, TM; Panzenbeck, M; Patel, U; Pav, S; Peet, GW; Peterson, JD; Prokopowicz, AS; Snow, RJ; Sellati, R; Takahashi, H; Tan, J; Tschantz, MA; Wang, XJ; Wang, Y; Wolak, J; Xiong, P; Moss, N Optimization of 2-phenylaminoimidazo[4,5-h]isoquinolin-9-ones: orally active inhibitors of lck kinase. J Med Chem 46: 1337-49 (2003)
- Spanka, C; Glatthar, R; Desrayaud, S; Fendt, M; Orain, D; Troxler, T; Vranesic, I Piperidyl amides as novel, potent and orally active mGlu5 receptor antagonists with anxiolytic-like activity. Bioorg Med Chem Lett 20: 184-8 (2010)
- Singh, H; Agrawal, DK Recent advances in the development of active hybrid molecules in the treatment of cardiovascular diseases. Bioorg Med Chem 62: (2022)
- Brewitz, L; Tumber, A; Zhang, X; Schofield, CJ Small-molecule active pharmaceutical ingredients of approved cancer therapeutics inhibit human aspartate/asparagine-β-hydroxylase. Bioorg Med Chem 28: (2020)
- Warmus, JS; Quinn, CL; Taylor, C; Murphy, ST; Johnson, TA; Limberakis, C; Ortwine, D; Bronstein, J; Pagano, P; Knafels, JD; Lightle, S; Mochalkin, I; Brideau, R; Podoll, T Structure based design of an in vivo active hydroxamic acid inhibitor of P. aeruginosa LpxC. Bioorg Med Chem Lett 22: 2536-43 (2012)
- Structure-Based Design and Discovery of a Potent and Cell-Active LC3A/B Covalent Inhibitor.
- Summers, JB; Gunn, BP; Martin, JG; Martin, MB; Mazdiyasni, H; Stewart, AO; Young, PR; Bouska, JB; Goetze, AM; Dyer, RD Structure-activity analysis of a class of orally active hydroxamic acid inhibitors of leukotriene biosynthesis. J Med Chem 31: 1960-4 (1988)
- Roques, BP; Corringer, PJ; Derrien, M; Daugé, V; Durieux, C Structure-based design and pharmacological properties of potent selective and systemically active CCK-B peptidomimetics Bioorg Med Chem Lett 3: 847-850 (1993)
- Rastelli, G; Vianello, P; Barlocco, D; Costantino, L; Corso, AD; Mura, U Structure-based design of an inhibitor modeled at the substrate active site of aldose reductase Bioorg Med Chem Lett 7: 1897-1902 (1997)
- Rahuel, J; Rasetti, V; Maibaum, J; Rüeger, H; Göschke, R; Cohen, NC; Stutz, S; Cumin, F; Fuhrer, W; Wood, JM; Grütter, MG Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin. Chem Biol 7: 493-504 (2000)
- Hirst, DJ; Brandt, M; Bruton, G; Christodoulou, E; Cutler, L; Deeks, N; Goodacre, JD; Jack, T; Lindon, M; Miah, A; Page, K; Parr, N; Shukla, L; Sims, M; Thomas, P; Thorpe, J; Holmes, DS Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg Med Chem Lett 30: (2020)
- Kruse, LI; Kaiser, C; DeWolf, WE; Frazee, JS; Erickson, RW; Ezekiel, M; Ohlstein, EH; Ruffolo, RR; Berkowitz, BA Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase. J Med Chem 29: 887-9 (1986)
- Vieira, E; Binggeli, A; Breu, V; Bur, D; Fischli, W; Güller, R; Hirth, G; Märki, HP; Müller, M; Oefner, C; Scalone, M; Stadler, H; Wilhelm, M; Wostl, W Substituted piperidines--highly potent renin inhibitors due to induced fit adaptation of the active site. Bioorg Med Chem Lett 9: 1397-402 (1999)
- Kort, ME; Atkinson, RN; Thomas, JB; Drizin, I; Johnson, MS; Secrest, MA; Gregg, RJ; Scanio, MJ; Shi, L; Hakeem, AH; Matulenko, MA; Chapman, ML; Krambis, MJ; Liu, D; Shieh, CC; Zhang, X; Simler, G; Mikusa, JP; Zhong, C; Joshi, S; Honore, P; Roeloffs, R; Werness, S; Antonio, B; Marsh, KC; Faltynek, CR; Krafte, DS; Jarvis, MF; Marron, BE Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives. Bioorg Med Chem Lett 20: 6812-5 (2010)
- Chiba, J; Iimura, S; Yoneda, Y; Watanabe, T; Muro, F; Tsubokawa, M; Iigou, Y; Satoh, A; Takayama, G; Yokoyama, M; Takashi, T; Nakayama, A; Machinaga, N Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem 15: 1679-93 (2007)
- Kim, DH; Kim, YJ Synthesis and inhibitory activity of optically active 2-benzyl-3-mercaptopropanoic acid against carboxypeptidase A Bioorg Med Chem Lett 3: 2681-2684 (1993)
- Nagao, S; Yamane, Y; Funasaka, S; Tanaka, K; Miyazaki, K; Kotake, Y; Kamata, J; Watanabe-Miyano, S; Toyama, O; Ozawa, Y; Mizui, Y; Okamoto, K; Ito, D Synthesis and structure-activity relationships of novel, potent, orally active hypoxia-inducible factor-1 inhibitors. Bioorg Med Chem 22: 5513-29 (2014)
- Dehmlow, H; Aebi, JD; Jolidon, S; Ji, YH; von der Mark, EM; Himber, J; Morand, OH Synthesis and structure-activity studies of novel orally active non-terpenoic 2,3-oxidosqualene cyclase inhibitors. J Med Chem 46: 3354-70 (2003)
- Leslie, CP; Biagetti, M; Bison, S; Bromidge, SM; Fabio, RD; Donati, D; Falchi, A; Garnier, MJ; Jaxa-Chamiec, A; Manchee, G; Merlo, G; Pizzi, DA; Stasi, LP; Tibasco, J; Vong, A; Ward, SE Discovery of 1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-imidazolidinone (GSK163090), a Potent, Selective, and Orally Active 5-HT1A/B/D Receptor Antagonist J Med Chem 53: 8228-8240 (2010)
- Bromidge, SM; Davies, S; Duckworth, DM; Forbes, IT; Jones, GE; Jones, J; King, FD; Blackburn, TP; Holland, V; Kennett, GA; Lightowler, S; Middlemiss, DN; Riley, GJ; Trail, B; Wood, MD 1-[2-[(Heteroarylmethoxy)aryl]carbamoyl]indolines are selective and orally active 5-HT2C receptor inverse agonists. Bioorg Med Chem Lett 10: 1867-70 (2000)
- Pinard, E; Alberati, D; Alvarez-Sanchez, R; Brom, V; Burner, S; Fischer, H; Hauser, N; Kolczewski, S; Lengyel, J; Mory, R; Saladin, C; Schulz-Gasch, T; Stalder, H 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. ACS Med Chem Lett 5: 428-33 (2014)
- Ballard, P; Bradbury, RH; Hennequin, LF; Hickinson, DM; Johnson, PD; Kettle, JG; Klinowska, T; Morgentin, R; Ogilvie, DJ; Olivier, A 5-Substituted 4-anilinoquinazolines as potent, selective and orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett 15: 4226-9 (2005)
- Sperlinga, E; Kosson, P; Urbanczyk-Lipkowska, Z; Ronsisvalle, G; Carr, DB; Lipkowski, AW 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid mimics active conformation of tyrosine in opioid peptides. Bioorg Med Chem Lett 15: 2467-9 (2005)
- Shen, Y; Li, F; Szewczyk, MM; Halabelian, L; Chau, I; Eram, MS; Dela Seña, C; Park, KS; Meng, F; Chen, H; Zeng, H; Dong, A; Wu, H; Trush, VV; McLeod, D; Zepeda-Velázquez, CA; Campbell, RM; Mader, MM; Watson, BM; Schapira, M; Arrowsmith, CH; Al-Awar, R; Barsyte-Lovejoy, D; Kaniskan, HÜ; Brown, PJ; Vedadi, M; Jin, J A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J Med Chem 64: 3697-3706 (2021)
- Choi-Sledeski, YM; Becker, MR; Green, DM; Davis, R; Ewing, WR; Mason, HJ; Ly, C; Spada, A; Liang, G; Cheney, D; Barton, J; Chu, V; Brown, K; Colussi, D; Bentley, R; Leadley, R; Dunwiddie, C; Pauls, HW Aminoisoquinolines: design and synthesis of an orally active benzamidine isostere for the inhibition of factor XA. Bioorg Med Chem Lett 9: 2539-44 (1999)
- Antitumor activity of HKI-272, an orally active, irreversible inhibitor of the HER-2 tyrosine kinase.
- Sigal, GB; Whitesides, GM Benzenesulfonamide-peptide conjugates as probes for secondary binding sites near the active site of carbonic anhydrase Bioorg Med Chem Lett 6: 559-564 (1996)
- Grande, F; Occhiuzzi, MA; Ioele, G; Ragno, G; Garofalo, A Benzopyrroloxazines containing a bridgehead nitrogen atom as promising scaffolds for the achievement of biologically active agents. Eur J Med Chem 151: 121-144 (2018)
- Breuer, E; Salomon, CJ; Katz, Y; Chen, W; Lu, S; Röschenthaler, GV; Hadar, R; Reich, R Carbamoylphosphonates, a new class of in vivo active matrix metalloproteinase inhibitors. 1. Alkyl- and cycloalkylcarbamoylphosphonic acids. J Med Chem 47: 2826-32 (2004)
- Borchardt, RT; Bhatia, P Catechol O-methyltransferase. 12. Affinity labeling the active site with the oxidation products of 5,6-dihydroxyindole. J Med Chem 25: 263-71 (1982)
- Chen, F; Hancock, CN; Macias, AT; Joh, J; Still, K; Zhong, S; MacKerell, AD; Shapiro, P Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structure. Bioorg Med Chem Lett 16: 6281-7 (2006)
- Marek, M; Shaik, TB; Heimburg, T; Chakrabarti, A; Lancelot, J; Ramos-Morales, E; Da Veiga, C; Kalinin, D; Melesina, J; Robaa, D; Schmidtkunz, K; Suzuki, T; Holl, R; Ennifar, E; Pierce, RJ; Jung, M; Sippl, W; Romier, C Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J Med Chem 61: 10000-10016 (2018)
- Satoh, Y; Powers, C; Toledo, LM; Kowalski, TJ; Peters, PA; Kimble, EF Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4- benzodioxan as orally active 5-lipoxygenase inhibitors. J Med Chem 38: 68-75 (1995)
- Edmunds, JJ; Klutchko, S; Hamby, JM; Bunker, AM; Connolly, CJ; Winters, RT; Quin, J; Sircar, I; Hodges, JC; Panek, RL Derivatives of 5-[[1-(4'-carboxybenzyl)imidazolyl]methylidene]hydantoins as orally active angiotensin II receptor antagonists. J Med Chem 38: 3759-71 (1995)
- Tran, TD; Pryde, DC; Jones, P; Adam, FM; Benson, N; Bish, G; Calo, F; Ciaramella, G; Dixon, R; Duckworth, J; Fox, DN; Hay, DA; Hitchin, J; Horscroft, N; Howard, M; Gardner, I; Jones, HM; Laxton, C; Parkinson, T; Parsons, G; Proctor, K; Smith, MC; Smith, N; Thomas, A Design and optimisation of orally active TLR7 agonists for the treatment of hepatitis C virus infection. Bioorg Med Chem Lett 21: 2389-93 (2011)
- Kinoshita, K; Asoh, K; Furuichi, N; Ito, T; Kawada, H; Hara, S; Ohwada, J; Miyagi, T; Kobayashi, T; Takanashi, K; Tsukaguchi, T; Sakamoto, H; Tsukuda, T; Oikawa, N Design and synthesis of a highly selective, orally active and potent anaplastic lymphoma kinase inhibitor (CH5424802). Bioorg Med Chem 20: 1271-80 (2012)
- Bowers, S; Truong, AP; Neitz, RJ; Neitzel, M; Probst, GD; Hom, RK; Peterson, B; Galemmo, RA; Konradi, AW; Sham, HL; Tóth, G; Pan, H; Yao, N; Artis, DR; Brigham, EF; Quinn, KP; Sauer, JM; Powell, K; Ruslim, L; Ren, Z; Bard, F; Yednock, TA; Griswold-Prenner, I Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg Med Chem Lett 21: 1838-43 (2011)
- Liu, KK; Cornelius, P; Patterson, TA; Zeng, Y; Santucci, S; Tomlinson, E; Gibbons, C; Maurer, TS; Marala, R; Brown, J; Kong, JX; Lee, E; Werner, W; Wenzel, Z; Vage, C Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. Bioorg Med Chem Lett 20: 266-71 (2010)
- Genis, C; Sippel, KH; Case, N; Cao, W; Avvaru, BS; Tartaglia, LJ; Govindasamy, L; Tu, C; Agbandje-McKenna, M; Silverman, DN; Rosser, CJ; McKenna, R Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties. Biochemistry 48: 1322-31 (2009)
- Yang, K; Li, S; Wang, T; Yan, X; He, Q; Ning, R; Xu, X; Yao, W; Zhang, X; Yang, C; Jiang, M; Deng, L Development of an Orally Active Small-Molecule Inhibitor of Receptor Activator of Nuclear Factor-κB Ligand. J Med Chem 65: 10992-11009 (2022)
- Huang, HC; Li, JJ; Garland, DJ; Chamberlain, TS; Reinhard, EJ; Manning, RE; Seibert, K; Koboldt, CM; Gregory, SA; Anderson, GD; Veenhuizen, AW; Zhang, Y; Perkins, WE; Burton, EG; Cogburn, JN; Isakson, PC; Reitz, DB Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships. J Med Chem 39: 253-66 (1996)
- Noe, MC; Natarajan, V; Snow, SL; Wolf-Gouveia, LA; Mitchell, PG; Lopresti-Morrow, L; Reeves, LM; Yocum, SA; Otterness, I; Bliven, MA; Carty, TJ; Barberia, JT; Sweeney, FJ; Liras, JL; Vaughn, M Discovery of 3-OH-3-methylpipecolic hydroxamates: potent orally active inhibitors of aggrecanase and MMP-13. Bioorg Med Chem Lett 15: 3385-8 (2005)
- Huang, WS; Liu, S; Zou, D; Thomas, M; Wang, Y; Zhou, T; Romero, J; Kohlmann, A; Li, F; Qi, J; Cai, L; Dwight, TA; Xu, Y; Xu, R; Dodd, R; Toms, A; Parillon, L; Lu, X; Anjum, R; Zhang, S; Wang, F; Keats, J; Wardwell, SD; Ning, Y; Xu, Q; Moran, LE; Mohemmad, QK; Jang, HG; Clackson, T; Narasimhan, NI; Rivera, VM; Zhu, X; Dalgarno, D; Shakespeare, WC Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J Med Chem 59: 4948-64 (2016)
- Cheung, M; Bao, W; Behm, DJ; Brooks, CA; Bury, MJ; Dowdell, SE; Eidam, HS; Fox, RM; Goodman, KB; Holt, DA; Lee, D; Roethke, TJ; Willette, RN; Xu, X; Ye, G; Thorneloe, KS Discovery of GSK2193874: An Orally Active, Potent, and Selective Blocker of Transient Receptor Potential Vanilloid 4. ACS Med Chem Lett 8: 549-554 (2017)
- Theodoulou, NH; Bamborough, P; Bannister, AJ; Becher, I; Bit, RA; Che, KH; Chung, CW; Dittmann, A; Drewes, G; Drewry, DH; Gordon, L; Grandi, P; Leveridge, M; Lindon, M; Michon, AM; Molnar, J; Robson, SC; Tomkinson, NC; Kouzarides, T; Prinjha, RK; Humphreys, PG Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J Med Chem 59: 1425-39 (2016)
- Luo, G; Chen, L; Burton, CR; Xiao, H; Sivaprakasam, P; Krause, CM; Cao, Y; Liu, N; Lippy, J; Clarke, WJ; Snow, K; Raybon, J; Arora, V; Pokross, M; Kish, K; Lewis, HA; Langley, DR; Macor, JE; Dubowchik, GM Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J Med Chem 59: 1041-51 (2016)
- Iijima, D; Sugama, H; Awai, N; Takahashi, Y; Togashi, Y; Takebe, T; Xie, J; Shen, J; Ke, Y; Akatsuka, H; Kawaguchi, T; Takedomi, K; Kashima, A; Nishio, M; Inui, Y; Yoneda, H; Xia, G; Iijima, T Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. ACS Med Chem Lett 13: 1351-1357 (2022)
- Discovery of Orally Active Phenylquinoline-Based Soluble Epoxide Hydrolase Inhibitors with Anti-Inflammatory and Analgesic Activity.
- Zhang, Z; Chu, XJ; Liu, JJ; Ding, Q; Zhang, J; Bartkovitz, D; Jiang, N; Karnachi, P; So, SS; Tovar, C; Filipovic, ZM; Higgins, B; Glenn, K; Packman, K; Vassilev, L; Graves, B Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development. ACS Med Chem Lett 5: 124-7 (2014)
- Wu, YJ; He, H; Gao, Q; Wu, D; Bertekap, R; Westphal, RS; Lelas, S; Newton, A; Wallace, T; Taber, M; Davis, C; Macor, JE; Bronson, J Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist-serotonin reuptake transporter inhibitor. Bioorg Med Chem Lett 24: 1611-4 (2014)
- Doherty, AM; Patt, WC; Edmunds, JJ; Berryman, KA; Reisdorph, BR; Plummer, MS; Shahripour, A; Lee, C; Cheng, XM; Walker, DM Discovery of a novel series of orally active non-peptide endothelin-A (ETA) receptor-selective antagonists. J Med Chem 38: 1259-63 (1995)
- Paliwal, S; Reichard, GA; Shah, S; Wrobleski, ML; Wang, C; Stengone, C; Tsui, HC; Xiao, D; Duffy, RA; Lachowicz, JE; Nomeir, AA; Varty, GB; Shih, NY Discovery of a novel, potent and orally active series of gamma-lactams as selective NK1 antagonists. Bioorg Med Chem Lett 18: 4168-71 (2008)
- Richter, HG; Benson, GM; Blum, D; Chaput, E; Feng, S; Gardes, C; Grether, U; Hartman, P; Kuhn, B; Martin, RE; Plancher, JM; Rudolph, MG; Schuler, F; Taylor, S; Bleicher, KH Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia& diabetes. Bioorg Med Chem Lett 21: 191-4 (2010)
- Mizutani, T; Ishikawa, S; Nagase, T; Takahashi, H; Fujimura, T; Sasaki, T; Nagumo, A; Shimamura, K; Miyamoto, Y; Kitazawa, H; Kanesaka, M; Yoshimoto, R; Aragane, K; Tokita, S; Sato, N Discovery of novel benzoxazinones as potent and orally active long chain fatty acid elongase 6 inhibitors. J Med Chem 52: 7289-300 (2009)
- Suzuki, T; Kameda, M; Ando, M; Miyazoe, H; Sekino, E; Ito, S; Masutani, K; Kamijo, K; Takezawa, A; Moriya, M; Ito, M; Ito, J; Nakase, K; Matsushita, H; Ishihara, A; Takenaga, N; Tokita, S; Kanatani, A; Sato, N; Fukami, T Discovery of novel diarylketoxime derivatives as selective and orally active melanin-concentrating hormone 1 receptor antagonists. Bioorg Med Chem Lett 19: 5339-45 (2009)
- Shen, DM; Brady, EJ; Candelore, MR; Dallas-Yang, Q; Ding, VD; Feeney, WP; Jiang, G; McCann, ME; Mock, S; Qureshi, SA; Saperstein, R; Shen, X; Tong, X; Tota, LM; Wright, MJ; Yang, X; Zheng, S; Chapman, KT; Zhang, BB; Tata, JR; Parmee, ER Discovery of novel, potent, selective, and orally active human glucagon receptor antagonists containing a pyrazole core. Bioorg Med Chem Lett 21: 76-81 (2010)
- Yu, B; Yu, Z; Qi, PP; Yu, DQ; Liu, HM Discovery of orally active anticancer candidate CFI-400945 derived from biologically promising spirooxindoles: success and challenges. Eur J Med Chem 95: 35-40 (2015)
- Miller, WH; Alberts, DP; Bhatnagar, PK; Bondinell, WE; Callahan, JF; Calvo, RR; Cousins, RD; Erhard, KF; Heerding, DA; Keenan, RM; Kwon, C; Manley, PJ; Newlander, KA; Ross, ST; Samanen, JM; Uzinskas, IN; Venslavsky, JW; Yuan, CC; Haltiwanger, RC; Gowen, M; Hwang, SM; James, IE; Lark, MW; Rieman, DJ; Stroup, GB; Azzarano, LM; Salyers, KL; Smith, BR; Ward, KW; Johanson, KO; Huffman, WF Discovery of orally active nonpeptide vitronectin receptor antagonists based on a 2-benzazepine Gly-Asp mimetic. J Med Chem 43: 22-6 (2000)
- Chackalamannil, S; Xia, Y; Greenlee, WJ; Clasby, M; Doller, D; Tsai, H; Asberom, T; Czarniecki, M; Ahn, HS; Boykow, G; Foster, C; Agans-Fantuzzi, J; Bryant, M; Lau, J; Chintala, M Discovery of potent orally active thrombin receptor (protease activated receptor 1) antagonists as novel antithrombotic agents. J Med Chem 48: 5884-7 (2005)
- Zhao, B; Liang, Q; Ren, H; Zhang, X; Wu, Y; Zhang, K; Ma, LY; Zheng, YC; Liu, HM Discovery of pyrazole derivatives as cellular active inhibitors of histone lysine specific demethylase 5B (KDM5B/JARID1B). Eur J Med Chem 192: (2020)
- Rej, RK; Wang, C; Lu, J; Wang, M; Petrunak, E; Zawacki, KP; McEachern, D; Fernandez-Salas, E; Yang, CY; Wang, L; Li, R; Chinnaswamy, K; Wen, B; Sun, D; Stuckey, J; Zhou, Y; Chen, J; Tang, G; Wang, S EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J Med Chem 63: 7252-7267 (2020)
- Katz, BA; Elrod, K; Verner, E; Mackman, RL; Luong, C; Shrader, WD; Sendzik, M; Spencer, JR; Sprengeler, PA; Kolesnikov, A; Tai, VW; Hui, HC; Breitenbucher, JG; Allen, D; Janc, JW Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J Mol Biol 329: 93-120 (2003)
- Cho, YS; Angove, H; Brain, C; Chen, CH; Cheng, H; Cheng, R; Chopra, R; Chung, K; Congreve, M; Dagostin, C; Davis, DJ; Feltell, R; Giraldes, J; Hiscock, SD; Kim, S; Kovats, S; Lagu, B; Lewry, K; Loo, A; Lu, Y; Luzzio, M; Maniara, W; McMenamin, R; Mortenson, PN; Benning, R; Rees, DC; Shen, J; Smith, T; Wang, Y; Williams, G; Woolford, AJ; Wrona, W; Xu, M; Yang, F; Howard, S Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett 3: 445-449 (2012)
- Taylor, AM; Côté, A; Hewitt, MC; Pastor, R; Leblanc, Y; Nasveschuk, CG; Romero, FA; Crawford, TD; Cantone, N; Jayaram, H; Setser, J; Murray, J; Beresini, MH; de Leon Boenig, G; Chen, Z; Conery, AR; Cummings, RT; Dakin, LA; Flynn, EM; Huang, OW; Kaufman, S; Keller, PJ; Kiefer, JR; Lai, T; Li, Y; Liao, J; Liu, W; Lu, H; Pardo, E; Tsui, V; Wang, J; Wang, Y; Xu, Z; Yan, F; Yu, D; Zawadzke, L; Zhu, X; Zhu, X; Sims, RJ; Cochran, AG; Bellon, S; Audia, JE; Magnuson, S; Albrecht, BK Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). ACS Med Chem Lett 7: 531-6 (2016)
- Deu, E; Leyva, MJ; Albrow, VE; Rice, MJ; Ellman, JA; Bogyo, M Functional studies of Plasmodium falciparum dipeptidyl aminopeptidase I using small molecule inhibitors and active site probes. Chem Biol 17: 808-19 (2010)
- Greenidge, PA; Mérette, SA; Beck, R; Dodson, G; Goodwin, CA; Scully, MF; Spencer, J; Weiser, J; Deadman, JJ Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin. J Med Chem 46: 1293-305 (2003)
- Grice, CA; Tays, KL; Savall, BM; Wei, J; Butler, CR; Axe, FU; Bembenek, SD; Fourie, AM; Dunford, PJ; Lundeen, K; Coles, F; Xue, X; Riley, JP; Williams, KN; Karlsson, L; Edwards, JP Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem 51: 4150-69 (2008)
- Rota, P; La Rocca, P; Bonfante, F; Pagliari, M; Cirillo, F; Piccoli, M; Ghiroldi, A; Franco, V; Pappone, C; Allevi, P; Anastasia, L Interplay of Modified Sialic Acid Inhibitors and the Human Parainfluenza Virus 1 Hemagglutinin-Neuraminidase Active Site. ACS Med Chem Lett 14: 1383-1388 (2023)
- Bello, AM; Wasilewski, E; Wei, L; Moscarello, MA; Kotra, LP Interrogation of the Active Sites of Protein Arginine Deiminases (PAD1, -2, and -4) Using Designer Probes. ACS Med Chem Lett 4: 249-53 (2013)
- Chauvel, EN; Coric, P; Llorens-Cortès, C; Wilk, S; Roques, BP; Fournié-Zaluski, MC Investigation of the active site of aminopeptidase A using a series of new thiol-containing inhibitors. J Med Chem 37: 1339-46 (1994)
- Mpakali, A; Saridakis, E; Harlos, K; Zhao, Y; Kokkala, P; Georgiadis, D; Giastas, P; Papakyriakou, A; Stratikos, E Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity. J Med Chem 60: 2963-2972 (2017)
- Shi, Y; Sharma, S Metallopeptide approach to the design of biologically active ligands: design of specific human neutrophil elastase inhibitors. Bioorg Med Chem Lett 9: 1469-74 (1999)
- Dechantsreiter, MA; Planker, E; Mathä, B; Lohof, E; Hölzemann, G; Jonczyk, A; Goodman, SL; Kessler, H N-Methylated cyclic RGD peptides as highly active and selective alpha(V)beta(3) integrin antagonists. J Med Chem 42: 3033-40 (1999)
- Durcik, M; Nyerges, Á; Skok, Ž; Skledar, DG; Trontelj, J; Zidar, N; Ilaš, J; Zega, A; Cruz, CD; Tammela, P; Welin, M; Kimbung, YR; Focht, D; Benek, O; Révész, T; Draskovits, G; Szili, PÉ; Daruka, L; Pál, C; Kikelj, D; Mašič, LP; Tomašič, T New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens. Eur J Med Chem 213: (2021)
- Yanachkov, IB; Chang, H; Yanachkova, MI; Dix, EJ; Berny-Lang, MA; Gremmel, T; Michelson, AD; Wright, GE; Frelinger, AL New highly active antiplatelet agents with dual specificity for platelet P2Y1 and P2Y12 adenosine diphosphate receptors. Eur J Med Chem 107: 204-18 (2016)
- Guglielmo, S; Cortese, D; Vottero, F; Rolando, B; Kommer, VP; Williams, DL; Fruttero, R; Gasco, A New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni. Eur J Med Chem 84: 135-45 (2014)
- Lombaer, SD; Blanchard, L; Berry, C; Ghai, RD; Trapani, AJ Non-peptidic inhibitors of neutral endopeptidase 24.11 2. Design and pharmacology of orally active phosphonate prodrugs Bioorg Med Chem Lett 5: 151-154 (1995)
- Vacher, B; Bonnaud, B; Funes, P; Jubault, N; Koek, W; Assié, MB; Cosi, C; Kleven, M Novel derivatives of 2-pyridinemethylamine as selective, potent, and orally active agonists at 5-HT1A receptors. J Med Chem 42: 1648-60 (1999)
- Silvestri, R; De Martino, G; La Regina, G; Artico, M; Massa, S; Vargiu, L; Mura, M; Loi, AG; Marceddu, T; La Colla, P Novel indolyl aryl sulfones active against HIV-1 carrying NNRTI resistance mutations: synthesis and SAR studies. J Med Chem 46: 2482-93 (2003)
- Sakamoto, T; Moriya, M; Tsuge, H; Takahashi, T; Haga, Y; Nonoshita, K; Okamoto, O; Takahashi, H; Sakuraba, A; Hirohashi, T; Shibata, T; Kanno, T; Ito, J; Iwaasa, H; Gomori, A; Ishihara, A; Fukuroda, T; Kanatani, A; Fukami, T Novel orally active NPY Y5 receptor antagonists: Synthesis and structure-activity relationship of spiroindoline class compounds. Bioorg Med Chem 17: 5015-26 (2009)
- Gunasekera, SP; Sennett, SH; Kelly-Borges, M; Bryant, RW Ophirapstanol trisulfate, a new biologically active steroid sulfate from the deep water marine sponge Topsentia ophiraphidites. J Nat Prod 57: 1751-4 (1994)
- Henke, BR; Aquino, CJ; Birkemo, LS; Croom, DK; Dougherty, RW; Ervin, GN; Grizzle, MK; Hirst, GC; James, MK; Johnson, MF; Queen, KL; Sherrill, RG; Sugg, EE; Suh, EM; Szewczyk, JW; Unwalla, RJ; Yingling, J; Willson, TM Optimization of 3-(1H-indazol-3-ylmethyl)-1,5-benzodiazepines as potent, orally active CCK-A agonists. J Med Chem 40: 2706-25 (1997)
- Lin, S; Du, T; Zhang, J; Wu, D; Tian, H; Zhang, K; Jiang, L; Lu, D; Sheng, L; Li, Y; Ji, M; Chen, X; Xu, H Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site. J Med Chem 65: 16372-16391 (2022)
- Bailey, N; Bamford, MJ; Brissy, D; Brookfield, J; Demont, E; Elliott, R; Garton, N; Farre-Gutierrez, I; Hayhow, T; Hutley, G; Naylor, A; Panchal, TA; Seow, HX; Spalding, D; Takle, AK Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs). Bioorg Med Chem Lett 19: 3602-6 (2009)
- Koga, H; Sato, T; Tsuzuki, K; Onoda, H; Kuboniwa, H; Takanashi, H Potent, acid-stable and orally active macrolide-type motilin receptor agonists, GM-611 and the derivatives Bioorg Med Chem Lett 4: 1347-1352 (1994)
- Dyck, B; Grigoriadis, DE; Gross, RS; Guo, Z; Haddach, M; Marinkovic, D; McCarthy, JR; Moorjani, M; Regan, CF; Saunders, J; Schwaebe, MK; Szabo, T; Williams, JP; Zhang, X; Bozigian, H; Chen, TK Potent, orally active corticotropin-releasing factor receptor-1 antagonists containing a tricyclic pyrrolopyridine or pyrazolopyridine core. J Med Chem 48: 4100-10 (2005)
- Chen, D; Dong, C; Dong, G; Srinivasan, K; Min, J; Noinaj, N; Huang, R Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues. J Med Chem 63: 8419-8431 (2020)
- Dupouy, C; Zhang, C; Padilla, A; Pochet, S; Kaminski, PA Probing the active site of the deoxynucleotide N-hydrolase Rcl encoded by the rat gene c6orf108. J Biol Chem 285: 41806-14 (2010)
- Norinder, U; Ek, ME QSAR investigation of NaV1.7 active compounds using the SVM/Signature approach and the Bioclipse Modeling platform. Bioorg Med Chem Lett 23: 261-3 (2013)
- Lauria, A; La Monica, G; Bono, A; Martorana, A Quinoline anticancer agents active on DNA and DNA-interacting proteins: From classical to emerging therapeutic targets. Eur J Med Chem 220: (2021)
- Jia, WZ; Cheng, F; Zhang, YJ; Ge, JY; Yao, SQ; Zhu, Q Rapid synthesis of flavone-based monoamine oxidase (MAO) inhibitors targeting two active sites using click chemistry. Chem Biol Drug Des 89: 141-151 (2017)
- Anthes, JC; Chapman, RW; Richard, C; Eckel, S; Corboz, M; Hey, JA; Fernandez, X; Greenfeder, S; McLeod, R; Sehring, S; Rizzo, C; Crawley, Y; Shih, NY; Piwinski, J; Reichard, G; Ting, P; Carruthers, N; Cuss, FM; Billah, M; Kreutner, W; Egan, RW SCH 206272: a potent, orally active tachykinin NK(1), NK(2), and NK(3) receptor antagonist. Eur J Pharmacol 450: 191-202 (2002)
- Reitz, DB; Huang, HC; Li, JJ; Garland, DJ; Manning, RE; Anderson, GD; Gregory, SA; Koboldt, CM; Perkins, WE; Seibert, K; Isakson, PC Selective cyclooxygenase inhibitors: Novel 4-spiro 1,2-diarylcyclopentenes are potent and orally active cox-2 inhibitors Bioorg Med Chem Lett 5: 867-872 (1995)
- Valente, S; Liu, Y; Schnekenburger, M; Zwergel, C; Cosconati, S; Gros, C; Tardugno, M; Labella, D; Florean, C; Minden, S; Hashimoto, H; Chang, Y; Zhang, X; Kirsch, G; Novellino, E; Arimondo, PB; Miele, E; Ferretti, E; Gulino, A; Diederich, M; Cheng, X; Mai, A Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells. J Med Chem 57: 701-13 (2014)
- Zhang, L; Robertson, CR; Green, BR; Pruess, TH; White, HS; Bulaj, G Structural requirements for a lipoamino acid in modulating the anticonvulsant activities of systemically active galanin analogues. J Med Chem 52: 1310-6 (2009)
- Cumming, JN; Smith, EM; Wang, L; Misiaszek, J; Durkin, J; Pan, J; Iserloh, U; Wu, Y; Zhu, Z; Strickland, C; Voigt, J; Chen, X; Kennedy, ME; Kuvelkar, R; Hyde, LA; Cox, K; Favreau, L; Czarniecki, MF; Greenlee, WJ; McKittrick, BA; Parker, EM; Stamford, AW Structure based design of iminohydantoin BACE1 inhibitors: identification of an orally available, centrally active BACE1 inhibitor. Bioorg Med Chem Lett 22: 2444-9 (2012)
- Salunke, DB; Yoo, E; Shukla, NM; Balakrishna, R; Malladi, SS; Serafin, KJ; Day, VW; Wang, X; David, SA Structure-activity relationships in human Toll-like receptor 8-active 2,3-diamino-furo[2,3-c]pyridines. J Med Chem 55: 8137-51 (2012)
- Hopper, AT; Juhl, M; Hornberg, J; Badolo, L; Kilburn, JP; Thougaard, A; Smagin, G; Song, D; Calice, L; Menon, V; Dale, E; Zhang, H; Cajina, M; Nattini, ME; Gandhi, A; Grenon, M; Jones, K; Khayrullina, T; Chandrasena, G; Thomsen, C; Zorn, SH; Brodbeck, R; Poda, SB; Staal, R; Möller, T Synthesis and Characterization of the Novel Rodent-Active and CNS-Penetrant P2X7 Receptor Antagonist Lu AF27139. J Med Chem 64: 4891-4902 (2021)
- Nicolaï, E; Curé, G; Goyard, J; Kirchner, M; Teulon, JM; Versigny, A; Cazes, M; Caussade, F; Virone-Oddos, A; Cloarec, A Synthesis and SAR studies of novel triazolopyrimidine derivatives as potent, orally active angiotensin II receptor antagonists. J Med Chem 37: 2371-86 (1994)
- Ogasawara, D; Suzuki, T; Mino, K; Ueda, R; Khan, MN; Matsubara, T; Koseki, K; Hasegawa, M; Sasaki, R; Nakagawa, H; Mizukami, T; Miyata, N Synthesis and biological activity of optically active NCL-1, a lysine-specific demethylase 1 selective inhibitor. Bioorg Med Chem 19: 3702-8 (2011)
- Puig, C; Crespo, MI; Godessart, N; Feixas, J; Ibarzo, J; Jiménez, JM; Soca, L; Cardelús, I; Heredia, A; Miralpeix, M; Puig, J; Beleta, J; Huerta, JM; López, M; Segarra, V; Ryder, H; Palacios, JM Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors. J Med Chem 43: 214-23 (2000)
- Huang, H; Martásek, P; Roman, LJ; Silverman, RB Synthesis and evaluation of peptidomimetics as selective inhibitors and active site probes of nitric oxide synthases. J Med Chem 43: 2938-45 (2000)
- Debenham, JS; Madsen-Duggan, CB; Walsh, TF; Wang, J; Tong, X; Doss, GA; Lao, J; Fong, TM; Schaeffer, MT; Xiao, JC; Huang, CR; Shen, CP; Feng, Y; Marsh, DJ; Stribling, DS; Shearman, LP; Strack, AM; MacIntyre, DE; Van der Ploeg, LH; Goulet, MT Synthesis of functionalized 1,8-naphthyridinones and their evaluation as novel, orally active CB1 receptor inverse agonists. Bioorg Med Chem Lett 16: 681-5 (2005)
- Lyle, TA; Chen, Z; Appleby, SD; Freidinger, RM; Gardell, SJ; Lewis, SD; Li, Y; Lyle, EA; Lynch, JJ; Mulichak, AM; Ng, AS; Naylor-Olsen, AM; Sanders, WM Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor Bioorg Med Chem Lett 7: 67-72 (1997)
- Chang, LL; Ashton, WT; Flanagan, KL; Naylor, EM; Chakravarty, PK; Patchett, AA; Greenlee, WJ; Bendesky, RJ; Chen, TB; Faust, KA; Kling, PJ; Schaffer, LW; Schorn, TW; Zingaro, GJ; Chang, RS; Lotti, VJ; Kivlighn, SD; Siegl, PK Triazolinones as nonpeptide angiotensin II antagonists. 2. discovery of a potent and orally active triazolinone acylsulfonamide Bioorg Med Chem Lett 4: 115-120 (1994)
- Bühlmayer, P; Furet, P; Criscione, L; Gasparo, Md; Whitebread, S; Schmidlin, T; Lattmann, R; Wood, J Valsartan, a potent, orally active angiotensin II antagonist developed from the structurally new amino acid series Bioorg Med Chem Lett 4: 29-34 (1994)
- ZD1839 (Iressa): an orally active inhibitor of epidermal growth factor signaling with potential for cancer therapy.
- Henderson, JL; Kormos, BL; Hayward, MM; Coffman, KJ; Jasti, J; Kurumbail, RG; Wager, TT; Verhoest, PR; Noell, GS; Chen, Y; Needle, E; Berger, Z; Steyn, SJ; Houle, C; Hirst, WD; Galatsis, P Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J Med Chem 58: 419-32 (2015)
- Hanessian, S; Balaux, E; Musil, D; Olsson, LL; Nilsson, I Exploring the chiral space within the active site of alpha-thrombin with a constrained mimic of D-Phe-Pro-Arg--design, synthesis, inhibitory activity, and X-ray structure of an enzyme-inhibitor complex. Bioorg Med Chem Lett 10: 243-7 (2000)
- Steinmetzer, T; Schweinitz, A; Stürzebecher, A; Dönnecke, D; Uhland, K; Schuster, O; Steinmetzer, P; Müller, F; Friedrich, R; Than, ME; Bode, W; Stürzebecher, J J Med Chem 49: 4116-26 (2006)