cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2251ms3
title: BindingDB Entry 50001946: Biseokeaniamides A, B, and C, Sterol O-Acyltransferase Inhibitors from an Okeania sp. Marine Cyanobacterium.

description: Small molecule binding data for protein Sterol O-acyltransferase 1 and Sterol O-acyltransferase 2, Uniprot O77759 and O77760
DOI: 10.7270/q25x2cjz
title: BindingDB Entry 50001945: Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Epidermal growth factor receptor, Uniprot P00533, P21860, and P40989
DOI: 10.7270/q2xd148r
title: BindingDB Entry 50001947: Potential Antiosteoporotic Natural Product Lead Compounds That Inhibit 17β-Hydroxysteroid Dehydrogenase Type 2.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Cytochrome P450 19A1, Estradiol 17-beta-dehydrogenase 1, Estradiol 17-beta-dehydrogenase 2, and Estrogen receptor, Uniprot A0A024R5S8, A0A024R9Z8, G4XH65, P03372, P11511, P14061, P35869, P37059, Q7LCB3, and Q92731
DOI: 10.7270/q2nv9mv6
title: BindingDB Entry 50001949: Malonylginsenosides with Potential Antidiabetic Activities from the Flower Buds of Panax ginseng.

description: Small molecule binding data for protein AMPK alpha2/beta1/gamma1, Uniprot A0A024R125, A0A024RBN1, P54619, P54646, and Q9Y478
DOI: 10.7270/q2sn0cj1
title: BindingDB Entry 50001948: Development of a Selective Inhibitor of Protein Arginine Deiminase 2.

description: Small molecule binding data for protein Protein-arginine deiminase type-2, Uniprot Q9Y2J8
DOI: 10.7270/q2j67kgm
title: BindingDB Entry 50001950: Mycobacterium tuberculosis lysine-ɛ-aminotransferase a potential target in dormancy: Benzothiazole based inhibitors.

description: Small molecule binding data for protein Probable L-lysine-epsilon aminotransferase, Uniprot P9WQ77
DOI: 10.7270/q28p6349
title: BindingDB Entry 50001953: Development of Selective, Orally Active GPR4 Antagonists with Modulatory Effects on Nociception, Inflammation, and Angiogenesis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, G-protein coupled receptor 4, G-protein coupled receptor 4 (GPR4), Histamine receptor (H3 and H4), Ovarian cancer G-protein coupled receptor 1, and Psychosine receptor, Uniprot B5B0C2, P40989, P46093, Q15743, Q4KLH9, Q8BUD0, Q8IYL9, and Q9Y5N1
DOI: 10.7270/q2df6tsb
title: BindingDB Entry 50001951: Novel 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot A0A024R3C5, P08908, P14416, P28223, P34969, P50406, and Q5ZGX3
DOI: 10.7270/q24x5bc4
title: BindingDB Entry 50001954: The medicinal chemistry of Chikungunya virus.

description: Small molecule binding data for protein Polyprotein P1234, Uniprot Q8JUX6
DOI: 10.7270/q2154km8
title: BindingDB Entry 50001955: Pyrrolo[2,1-f][1,2,4]triazines: From C-nucleosides to kinases and back again, the remarkable journey of a versatile nitrogen heterocycle.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 7, Uniprot Q93009
DOI: 10.7270/q2wd434c
title: BindingDB Entry 50001956: Arylamidonaphtalene sulfonate compounds as a novel class of heparanase inhibitors.

description: Small molecule binding data for protein Heparanase, Uniprot Q6YGZ1 and Q9Y251
DOI: 10.7270/q2rn3bf3
title: BindingDB Entry 50001957: Rational design, synthesis and preliminary antitumor activity evaluation of a chlorambucil derivative with potent DNA/HDAC dual-targeting inhibitory activity.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, and Histone deacetylase 6, Uniprot A0A024QZ26, Q13547, Q6IT96, Q92769, and Q9UBN7
DOI: 10.7270/q2h70jdp
title: BindingDB Entry 50001960: Design, synthesis, and biological activity of 5'-phenyl-1,2,5,6-tetrahydro-3,3'-bipyridine analogues as potential antagonists of nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Uniprot P30926 and P32297
DOI: 10.7270/q2n0193z
title: BindingDB Entry 50001959: Antibiotic adjuvants - A strategy to unlock bacterial resistance to antibiotics.

description: Small molecule binding data for protein Beta-lactamase, Uniprot A0A1Y6AXV4
DOI: 10.7270/q2cf9spd
title: BindingDB Entry 50001961: Pyrazole C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q23x8969
title: BindingDB Entry 50001963: Highly potent antiobesity effect of a short-length peptide YY analog in mice.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, and PPYR1, Uniprot P25929, P49146, Q63447, and Q9ERC0
DOI: 10.7270/q27p91z2
title: BindingDB Entry 50001962: Recent advances in JAK3 inhibition: Isoform selectivity by covalent cysteine targeting.

description: Small molecule binding data for protein JAK3/JAK1, Receptor protein-tyrosine kinase erbB-4, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK1/JAK3, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024R7M7, O60674, P23458, P51451, P52332, P52333, Q08881, Q15303, and Q62137
DOI: 10.7270/q2057jgw
title: BindingDB Entry 50001964: Design, synthesis and antitumor activity of Novel Sorafenib derivatives bearing pyrazole scaffold.

description: Small molecule binding data for protein BRAF/CRAF, Epidermal growth factor receptor, Hepatocyte growth factor receptor, RAF proto-oncogene serine/threonine-protein kinase, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R759, L7RRS6, P00533, P04049, P08581, P15056, P35968, and P36888
DOI: 10.7270/q2m0482x
title: BindingDB Entry 50001967: Modifications of flexible nonyl chain and nucleobase head group of (+)-erythro-9-(2's-hydroxy-3's-nonyl)adenine [(+)-EHNA] as adenosine deaminase inhibitors.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2qr50q1
title: BindingDB Entry 50001966: The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrP

description: Small molecule binding data for protein Major prion protein, Uniprot A0A1U7Q4N0 and P04273
DOI: 10.7270/q2vd721f
title: BindingDB Entry 50001965: New 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Adrenergic receptor alpha-2, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, D(2) dopamine receptor, Dopamine D1 and D2 receptor, Serotonin 1 (5-HT1) receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot A0A024R3C5, P08909, P14416, P14842, P15823, P19327, P19328, P21728, P22086, P23944, and P43140
DOI: 10.7270/q2bg2rk1
title: BindingDB Entry 50001969: Discovery of berberine based derivatives as anti-influenza agent through blocking of neuraminidase.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03468
DOI: 10.7270/q2g73hb6
title: BindingDB Entry 50001968: Synthesis and biological evaluation of sulfonamide analogues of the phosphatidylinositol 3-kinase inhibitor ZSTK474.

description: Small molecule binding data for protein Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, and P42338
DOI: 10.7270/q26q20t7
title: BindingDB Entry 50001970: SIRT6 inhibitors with salicylate-like structure show immunosuppressive and chemosensitizing effects.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, and Sirtuin-6 (SIRT6), Uniprot A0A024QZQ1, Q8IXJ6, Q8N6T7, and Q96EB6
DOI: 10.7270/q22z183x
title: BindingDB Entry 50001971: Design, synthesis and biological evaluation of WZ4002 analogues as EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Tyrosine-protein kinase ABL1, Uniprot P00520 and P00533
DOI: 10.7270/q2th8q8j
title: BindingDB Entry 50001973: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2z60rn0
title: BindingDB Entry 50001972: Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.

description: Small molecule binding data for protein Cytochrome P450 3A and Renin, Uniprot P00797, P08684, and Q6GRK0
DOI: 10.7270/q2pr7zk8
title: BindingDB Entry 50001974: Design and synthesis of a novel series of orally active, selective somatostatin receptor 2 agonists for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Somatostatin receptor type 1, Somatostatin receptor type 2, Somatostatin receptor type 3, Somatostatin receptor type 4, and Somatostatin receptor type 5, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2f76g4x
title: BindingDB Entry 50001976: Identification of novel PI3K inhibitors through a scaffold hopping strategy.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, mTOR/FKBP12A/FKBP12B, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P40989, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2k076v7
title: BindingDB Entry 50001975: Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase (BACE), Uniprot A0A024R3D7 and P56817
DOI: 10.7270/q25q4zn1
title: BindingDB Entry 50001978: Highly potent and selective Na

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Adenosine receptor A1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, High-affinity choline transporter, Monoamine transporter, Prostaglandin E synthase/G/H synthase 2, Serotonin (5-HT) receptor, Sodium channel alpha subunits; brain (Types I, II, III), Sodium channel protein type 2 alpha subunit, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, Sodium channel protein type 9 subunit alpha, Sodium channel protein type IX alpha subunit, Sodium channel protein type VIII alpha subunit, Sodium channel protein type XI alpha subunit, Sodium-dependent dopamine transporter, and Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), Uniprot A0A024R6T9, C1ID52, O08562, O88420, P05177, P08684, P10632, P10635, P11712, P23975, P28222, P30542, P33261, P35354, P35498, P35499, P40989, Q01959, Q14524, Q15858, Q62205, Q6GRK0, Q99250, Q9GZV3, Q9NY46, Q9UI33, Q9UQD0, S5RV20, and X5D7I5
DOI: 10.7270/q29g5qcr
title: BindingDB Entry 50001977: Dual antioxidant structures with potent anti-inflammatory, hypolipidemic and cytoprotective properties.

description: Small molecule binding data for protein Lipoxygenase
DOI: 10.7270/q21z4700
title: BindingDB Entry 50001979: Binding of triazole-linked galactosyl arylsulfonamides to galectin-3 affects Trypanosoma cruzi cell invasion.

description: Small molecule binding data for protein Galectin-3 and Trans-sialidase, Uniprot A0A024R693, P17931, and Q26964
DOI: 10.7270/q2x92dv1
title: BindingDB Entry 50001980: Identification of pyrrolo[2,3-d]pyrimidines as potent HCK and FLT3-ITD dual inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase HCK and Tyrosine-protein kinase receptor FLT3, Uniprot P08631 and P36888
DOI: 10.7270/q2ns0xgw
title: BindingDB Entry 50001982: Discovery of aminocyclohexene analogues as selective and orally bioavailable hNav1.7 inhibitors for analgesia.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 9 subunit alpha, and Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, P35499, P40989, Q14524, Q15858, Q6GRK0, and S5RV20
DOI: 10.7270/q2sj1p6m
title: BindingDB Entry 50001981: Discovery of a novel 2,4-dimethylquinoline-6-carboxamide M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P08485
DOI: 10.7270/q2d79dzp
title: BindingDB Entry 50001984: Astemizole analogues with reduced hERG inhibition as potent antimalarial compounds.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2j105qd
title: BindingDB Entry 50001983: Discovery of tranylcypromine analogs with an acylhydrazone substituent as LSD1 inactivators: Design, synthesis and their biological evaluation.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q28g8p7c
title: BindingDB Entry 50001985: Potent anti-melanogenic activity and favorable toxicity profile of selected 4-phenyl hydroxycoumarins in the zebrafish model and the computational molecular modeling studies.

description: Small molecule binding data for protein Tyrosinase, Uniprot Q8AYA1
DOI: 10.7270/q24q7xj3
title: BindingDB Entry 50001986: Design and synthesis of a novel series of (1'S,2R,4'S)-3H-4'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,2'-bicyclo[2.2.2]octanes] with high affinity for the α7 neuronal nicotinic receptor.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 3A/3C, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P04757, P09483, P12390, P12392, P36544, P46098, and Q05941
DOI: 10.7270/q2125w7d
title: BindingDB Entry 50001987: A comparative study of warheads for design of cysteine protease inhibitors.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779 and Q598P5
DOI: 10.7270/q2w95csj
title: BindingDB Entry 50001988: Concise syntheses and HCV NS5B polymerase inhibition of (2'R)-3 and (2'S)-2'-ethynyluridine-10 and related nucleosides.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2rj4n27
title: BindingDB Entry 50001989: Ability of higenamine and related compounds to enhance glucose uptake in L6 cells.

description: Small molecule binding data for protein Adrenergic receptor beta, Uniprot P10608
DOI: 10.7270/q2h134k1
title: BindingDB Entry 50001991: Discovery of a class of diheteroaromatic amines as orally bioavailable CDK1/4/6 inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Cyclin-dependent kinase 4, and Cyclin-dependent kinase 6, Uniprot A0A024RBB6, P06493, P11802, and Q00534
DOI: 10.7270/q2ms3wbh
title: BindingDB Entry 50001990: Discovery and evaluation of Ca

description: Small molecule binding data for protein Voltage-dependent T-type calcium channel subunit alpha-1H, Voltage-gated T-type calcium channel, and Voltage-gated calcium channel, Uniprot O43497, O95180, Q13936, and Q9P0X4
DOI: 10.7270/q2c82cv9
title: BindingDB Entry 50001992: Discovery and evaluation of Ca

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Voltage-dependent T-type calcium channel subunit alpha-1H, Voltage-gated T-type calcium channel, and Voltage-gated calcium channel, Uniprot O43497, O95180, P40989, Q13936, and Q9P0X4
DOI: 10.7270/q23t9ksk
title: BindingDB Entry 50001994: Structure optimization of tetrahydropyridoindole-based aldose reductase inhibitors improved their efficacy and selectivity.

description: Small molecule binding data for protein Aldo-keto reductase family member 1B10 (AKR1B10) and Aldose reductase, Uniprot A0A024R7A8, O60218, P07943, and P15121
DOI: 10.7270/q27h1n5f
title: BindingDB Entry 50001993: Polyhydroxylated azetidine iminosugars: Synthesis, glycosidase inhibitory activity and molecular docking studies.

description: Small molecule binding data for protein Alpha-galactosidase, Alpha-glucosidase, and Alpha-mannosidase, Uniprot A0A3A6SGE1, A0PCH8, C0HJB3, P16551, and P56526
DOI: 10.7270/q2028v4g
title: BindingDB Entry 50001995: Novel analogs of PSNCBAM-1 as allosteric modulators of cannabinoid CB1 receptor.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1, and Monoglyceride lipase, Uniprot A0A024RAH7, O00519, P21554, P34972, Q99685, and S5TLS4
DOI: 10.7270/q2qj7kvj
title: BindingDB Entry 50001998: Discovery and structure-activity-relationship study of novel conformationally restricted indane analogues for mutant isocitric dehydrogenase 1 (IDH1) inhibitors.

description: Small molecule binding data for protein Isocitrate dehydrogenase 2 (IDH2) and Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot A0A024R3Y6, O75874, and P48735
DOI: 10.7270/q2v98bn5
title: BindingDB Entry 50001996: 6-Substituted quinolines as RORγt inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma (RORC), Uniprot P51449 and Q6I9R9
DOI: 10.7270/q2ks6v3s
title: BindingDB Entry 50001999: Challenges in the development of an M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M2 and M4, and Muscarinic acetylcholine receptor M2 and M5, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q2b85bqx
title: BindingDB Entry 50002001: Trisubstituted purine inhibitors of PDGFRα and their antileukemic activity in the human eosinophilic cell line EOL-1.

description: Small molecule binding data for protein CDK2/CycE and Platelet-derived growth factor receptor, Uniprot A0A024RB77, P16234, P24864, and P24941
DOI: 10.7270/q2g163d6
title: BindingDB Entry 50002000: Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q22v2jp6
title: BindingDB Entry 50002003: Exploration of multi-target potential of chromen-4-one based compounds in Alzheimer's disease: Design, synthesis and biological evaluations.

description: Small molecule binding data for protein Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q26m39cg
title: BindingDB Entry 50002002: Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1.

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot A0A024R3Y6 and O75874
DOI: 10.7270/q2z3226m
title: BindingDB Entry 50002004: Improving metabolic stability with deuterium: The discovery of GPU-028, a potent free fatty acid receptor 4 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1 and G-protein coupled receptor 120, Uniprot O14842 and Q5NUL3
DOI: 10.7270/q2tb19ff
title: BindingDB Entry 50002005: Structure-activity relationships of 2-substituted phenyl-N-phenyl-2-oxoacetohydrazonoyl cyanides as novel antagonists of exchange proteins directly activated by cAMP (EPACs).

description: Small molecule binding data for protein Rap guanine nucleotide exchange factor 3 and Rap guanine nucleotide exchange factor 4, Uniprot O95398 and Q8WZA2
DOI: 10.7270/q2js9t0v
title: BindingDB Entry 50002008: Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Benzodiazepine receptors; peripheral & central, and Prostaglandin E synthase, Uniprot O14684, P09917, and P16257
DOI: 10.7270/q2pk0jp8
title: BindingDB Entry 50002006: Benzo[c][1,2,5]thiadiazole derivatives: A new class of potent Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Tyrosine-protein phosphatase non-receptor type 11, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot A8K3M3, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2f19298
title: BindingDB Entry 50002009: Phosphamide-containing diphenylpyrimidine analogues (PA-DPPYs) as potent focal adhesion kinase (FAK) inhibitors with enhanced activity against pancreatic cancer cell lines.

description: Small molecule binding data for protein Focal adhesion kinase 1, Uniprot Q05397
DOI: 10.7270/q29c7108
title: BindingDB Entry 50002010: Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors.

description: Small molecule binding data for protein Kallikrein 5, Kallikrein 7, and Trypsin, Uniprot A0A024R4H6, P07477, P07478, P35030, P49862, Q5NV56, and Q9Y337
DOI: 10.7270/q25m6890
title: BindingDB Entry 50002012: Synthesis and biological evaluation of thiazole derivatives as GPR119 agonists.

description: Small molecule binding data for protein Glucose-dependent insulinotropic receptor, Uniprot Q8TDV5
DOI: 10.7270/q21v5hjt
title: BindingDB Entry 50002013: Novel highly selective peroxisome proliferator-activated receptor δ (PPARδ) modulators with pharmacokinetic properties suitable for once-daily oral dosing.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot A0A024RCW6, F1D8S4, P37231, Q03181, and Q07869
DOI: 10.7270/q2sb4892
title: BindingDB Entry 50002015: Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.

description: Small molecule binding data for protein BRAF/CRAF, Ephrin receptor, Ephrin type-B receptor 4, MAP kinase p38, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, Tyrosine-protein kinase Lyn, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024RD04, A0A024RD15, A1MA61, O15264, P07948, P10721, P15056, P16234, P35968, P53778, P54760, P54764, Q15759, Q16539, and Q541P7
DOI: 10.7270/q2x3511s
title: BindingDB Entry 50002014: Synthesis and evaluation of analogues of the tuberculosis drug bedaquiline containing heterocyclic B-ring units.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Cytochrome P450 3A, Uniprot P08684, P40989, and Q6GRK0
DOI: 10.7270/q2hx1g7w
title: BindingDB Entry 50002017: The synthesis of 2,3,6-trisubstituted 1-oxo-1,2-dihydroisoquinolines as potent CRTh

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2nk3hms
title: BindingDB Entry 50002016: Cyclotides, a versatile ultrastable micro-protein scaffold for biotechnological applications.

description: Small molecule binding data for protein Trypsin I, Uniprot P00760