PMID
Cmpds
Data
Article Title
Organization
31
Exploration of phenylpropanoic acids as agonists of the free fatty acid receptor 4 (FFA4): Identification of an orally efficacious FFA4 agonist.

Glaxosmithkline
16
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.

Vitae Pharmaceuticals
13
Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist.

Vitae Pharmaceuticals
3
Discovery of a New Inhibitor of Myeloid Differentiation 2 from Cinnamamide Derivatives with Anti-Inflammatory Activity in Sepsis and Acute Lung Injury.

Wenzhou Medical University
30
Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.

Beijing Pearl Biotech
8
Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.

Vitae Pharmaceuticals
26
Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.

Beijing Pearl Biotech
40
Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120).

Glaxosmithkline
2
Synthesis and biological evaluation of novel oxindole-based RTK inhibitors as anti-cancer agents.

Wenzhou Medical University
43
HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase.

AstraZeneca
6
Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B.

Ptc Therapeutics
71
Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication.

Sanofi
31
Inhibiting NF-¿B-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.

Amgen
50
Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

Chinese Academy of Sciences
3
Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.

National Institute of Biological Sciences
15
Rational Drug Design Leading to the Identification of a Potent 5-HT(2C) Agonist Lacking 5-HT(2B) Activity.

TBA
30
The Discovery of VX-745: A Novel and Selective p38a Kinase Inhibitor.

TBA
1
Novel steroidal saponins, Sch 725737 and Sch 725739, from a marine starfish, Novodinia antillensis.

Schering-Plough Research Institute
9
VX-322: a novel dual receptor tyrosine kinase inhibitor for the treatment of acute myelogenous leukemia.

University of Kentucky
9
Discovery and bioactivity of 4-(2-arylpyrido[3',2':3,4]pyrrolo[1,2-f][1,2,4]triazin-4-yl) morpholine derivatives as novel PI3K inhibitors.

Chinese Academy of Sciences
25
Design, synthesis and biological evaluation of pyridine acyl sulfonamide derivatives as novel COX-2 inhibitors.

Nanjing University
11
Design, synthesis, and biological evaluation of benzodiazepine-based SUMO-specific protease 1 inhibitors.

Shanghai Jiao Tong University
30
Design, synthesis, and evaluation of a novel dual FMS-like tyrosine kinase 3/stem cell factor receptor (FLT3/c-KIT) inhibitor for the treatment of acute myelogenous leukemia.

Vertex Pharmaceuticals
16
Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.

Singapore Polytechnic
39
Evolution of potent and stable placental-growth-factor-1-targeting CovX-bodies from phage display peptide discovery.

Pfizer
17
Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.

Singapore Polytechnic
2
Discovery of novel dual tubulin and MMPs inhibitors for the treatment of lung cancer and overcoming drug resistance.

Guangxi Normal University
70
Structure-Based Design and Optimization Lead to the Identification of a Novel Potent sEH Inhibitor with PPARγ Partial Agonist Activity against Inflammatory and Metabolic-Related Diseases.

Shenyang Pharmaceutical University
5
Design, synthesis and biological evaluation of a novel PAK1 degrader for the treatment of triple negative breast cancer.

Shenzhen University Medical School
82
Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.

Schrodinger Inc.
47
Design, synthesis and biological evaluation of arylpropylamine derivatives as potential multi-target antidepressants.

Nanjing Tech University
3
The synthesis and bioactivities of ROCK2 inhibitors with 1,2-dithiolan-3-yl motif.

Shenyang Pharmaceutical University
7
Design and activity evaluation of new EGFR tyrosine kinase inhibitors containing cyclic polyamines.

Shenyang Pharmaceutical University
14
Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.

Chinese Academy of Sciences
45
Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting β-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.

Anhui University of Chinese Medicine
27
Design and Synthesis of Dual-Targeting Inhibitors of sEH and HDAC6 for the Treatment of Neuropathic Pain and Lipopolysaccharide-Induced Mortality.

Shenyang Pharmaceutical University
10
Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.

University of Chinese Academy of Sciences
23
Design, synthesis and evaluation of the novel chalcone derivatives with 2,2-dimethylbenzopyran as HIF-1 inhibitors that possess anti-angiogenic potential.

Shenyang Pharmaceutical University
54
Structure-Directed Discovery of Potent Soluble Epoxide Hydrolase Inhibitors for the Treatment of Inflammatory Diseases.

Shenyang Pharmaceutical University
8
Design, synthesis and anti-rheumatoid arthritis activity of target TLR4 inhibitors.

Chongqing Chemical Industry Vocational College
2
Design, Synthesis, and Bioevaluation of Novel MyD88 Inhibitor c17 against Acute Lung Injury Derived from the Virtual Screen.

Wenzhou Medical University
5
Discovery of Dual Lysine Methyltransferase G9a and EZH2 Inhibitors with In Vivo Efficacy against Malignant Rhabdoid Tumor.

Shenyang Pharmaceutical University
10
Toll-like receptor 4 (TLR4) inhibitors: Current research and prospective.

Shenyang Pharmaceutical University
6
Discovery of Potent OTUB1/USP8 Dual Inhibitors Targeting Proteostasis in Non-Small-Cell Lung Cancer.

Fudan University
32
Discovery of memantyl urea derivatives as potent soluble epoxide hydrolase inhibitors against lipopolysaccharide-induced sepsis.

Shenyang Pharmaceutical University
1
Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials.

Medicines For Malaria Venture
34
Development of 2-(5,6,7-Trifluoro-1

University of British Columbia
9
Synthesis, activity and mechanism for double-ring conjugated enones.

Hainan Normal University
66
Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.

Medicines For Malaria Venture
36
Discovery of methyl 3-((2-((1-(dimethylglycyl)-5-methoxyindolin-6-yl)amino)-5-(trifluoro-methyl) pyrimidin-4-yl)amino)thiophene-2-carboxylate as a potent and selective polo-like kinase 1 (PLK1) inhibitor for combating hepatocellular carcinoma.

Xiamen University
2
Discovery of 4-methyl-N-(4-((4-methylpiperazin- 1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-oxy)benzamide as a potent inhibitor of RET and its gatekeeper mutant.

Xiamen University
19
Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.

University of Washington
3
Lycosquarrines A-R,

China Pharmaceutical University
35
Revisiting the SAR of the Antischistosomal Aryl Hydantoin (Ro 13-3978).

University of Nebraska Medical Center
43
Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.

University of Washington
21
Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.

Chinese Academy of Sciences
26
Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration.

Chinese Academy of Sciences
4
Design, synthesis and evaluation of the osimertinib analogue (C-005) as potent EGFR inhibitor against NSCLC.

Wuxi Shuangliang Biotechnology
11
Optimizing Targeted Inhibitors of P-Glycoprotein Using Computational and Structure-Guided Approaches.

TBA
8
Conformationally defined retinoic acid analogues. 4. Potential new agents for acute promyelocytic and juvenile myelomonocytic leukemias.

University of Alabama At Birmingham
16
Optimization of substituted cinnamic acyl sulfonamide derivatives as tubulin polymerization inhibitors with anticancer activity.

Second Military Medical University
19
Design, synthesis and biological evaluation of lazabemide derivatives as inhibitors of monoamine oxidase.

Hainan Normal University
3
Colocynthenins A-D, Ring-A seco-Cucurbitane Triterpenoids from the Fruits of Citrullus colocynthis.

Xinjiang Technical Institute of Physics and Chemistry
2
Discovery and Optimization of Indolyl-Containing 4-Hydroxy-2-Pyridone Type II DNA Topoisomerase Inhibitors Active against Multidrug Resistant Gram-negative Bacteria.

Ptc Therapeutics
52
Fragment-Based Drug Discovery of Potent Protein Kinase C Iota Inhibitors.

A*Star
3
Synthesis and biological evaluation of water-soluble derivatives of chiral gossypol as HIV fusion inhibitors targeting gp41.

Renmin Hospital of Wuhan University
37
Identification of the 4-Position of 3-Alkynyl and 3-Heteroaromatic Substituted Pyridine Methanamines as a Key Modification Site Eliciting Increased Potency and Enhanced Selectivity for Cytochrome P-450 2A6 Inhibition.

Washington State University
1
Discovery of caffeic acid phenethyl ester derivatives as novel myeloid differentiation protein 2 inhibitors for treatment of acute lung injury.

Wenzhou Medical University
3
Discovery of new MD2-targeted anti-inflammatory compounds for the treatment of sepsis and acute lung injury.

Wenzhou Medical University
6
Synthesis and profiling of benzylmorpholine 1,2,4,5-tetraoxane analogue N205: Towards tetraoxane scaffolds with potential for single dose cure of malaria.

University of Liverpool
7
Preparation of 5'-deoxy-5'-amino-5'-C-methyl adenosine derivatives and their activity against DOT1L.

Shenyang Pharmaceutical University
20
Identification of potent, nonabsorbable agonists of the calcium-sensing receptor for GI-specific administration.

Glaxosmithkline
2
Design, synthesis and biological evaluation of novel hydroxamates and 2-aminobenzamides as potent histone deacetylase inhibitors and antitumor agents.

Beijing University of Chemical Technology
47
BIFUNCTIONAL DEGRADERS COMPRISING A TEAD BINDER

Novartis
33
Imidazo[4,5-c]pyridine compounds as LSD-1 inhibitors

University of Michigan
12
BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT

Korea Institute of Science and Technology
44
Sulfonamide derivatives for protein degradation

Dana-Farber Cancer Institute
3
SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF

Nanjing Chia Tai Tianqing Pharmaceutical
14
Oxazolidinone antibiotic compounds and process of preparation

Bugworks Research
29
Heterocyclic compounds as adenosine antagonists

Nuvation Bio
14
Amino-fluoropiperidine derivatives as kinase inhibitor

Daewoong Pharmaceutical
217
Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias

Terns
20
3-substituted 5-amino-6H-thiazolo[4,5-D]pyrimidine-2, 7-dione compounds for the treatment and prophylaxis of virus infection

Hoffmann-La Roche
67
Aryl substituted indoles and their use as blockers of sodium channels

Purdue Pharma
3
Steady-state kinetic and inhibition studies of the mammalian target of rapamycin (mTOR) kinase domain and mTOR complexes.

Pfizer
23
Antagonism by neuroleptics of neurotransmitter receptors of normal human brain in vitro.

Mayo Clinic
13
Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles.

Wyeth Research
55
Discovery of aminothiazole inhibitors of cyclin-dependent kinase 2: synthesis, X-ray crystallographic analysis, and biological activities.

Bristol Myers Squibb