cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2c24tqk
title: BindingDB Entry 2561: Potent blockers of the monocarboxylate transporter MCT1: novel immunomodulatory compounds.

description: Small molecule binding data for protein Monocarboxylate Transporter 1, Uniprot P53985
DOI: 10.7270/q2d21vs2
title: BindingDB Entry 725: Discovery and Biological Evaluation of Potent Dual ErbB-2/EGFR Tyrosine Kinase Inhibitors: 6-Thiazolylquinazolines

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2gt5kgf
title: BindingDB Entry 2560: Optimization of monocarboxylate transporter 1 blockers through analysis and modulation of atropisomer interconversion properties.

description: Small molecule binding data for protein Monocarboxylate Transporter 1, Uniprot P53985
DOI: 10.7270/q2hq3x4m
title: BindingDB Entry 724: Discovery and Biological Evaluation of Potent Dual ErbB-2/EGFR Tyrosine Kinase Inhibitors: 6-Thiazolylquinazolines

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2mk6b65
title: BindingDB Entry 2559: Synthesis of Indoleamine 2,3-Dioxygenase Inhibitory Analogues of the Sponge Alkaloid Exiguamine A.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2ng4ntg
title: BindingDB Entry 723: Optimization of a Pyrazolo[1,5-a]pyrimidine Class of KDR Kinase Inhibitors: Improvements in Physical Properties Enhance Cellular Activity and Pharmacokinetics

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2rb72w1
title: BindingDB Entry 2557: Hydroxyethylene isosteres of selective neuronal nitric oxide synthase inhibitors.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q2s75dhr
title: BindingDB Entry 722: Optimization of a Pyrazolo[1,5-a]pyrimidine Class of KDR Kinase Inhibitors: Improvements in Physical Properties Enhance Cellular Activity and Pharmacokinetics

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2w0947w
title: BindingDB Entry 2556: Structure-based design and synthesis of N(omega)-nitro-L-arginine-containing peptidomimetics as selective inhibitors of neuronal nitric oxide synthase. Displacement of the heme structural water.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q2x0657g
title: BindingDB Entry 721: Optimization of a Pyrazolo[1,5-a]pyrimidine Class of KDR Kinase Inhibitors: Improvements in Physical Properties Enhance Cellular Activity and Pharmacokinetics

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q20r9mkp
title: BindingDB Entry 737: 4-Alkoxy-2,6-diaminopyrimidine Derivatives: Inhibitors of Cyclin Dependent Kinases 1and 2.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 2 (CDK2), Uniprot P15206 and P24941
DOI: 10.7270/q22n50jv
title: BindingDB Entry 2578: SAR studies of 3-arylpropionic acids as potent and selective agonists of sphingosine-1-phosphate receptor-1 (S1P1) with enhanced pharmacokinetic properties.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P21453, Q99500, and Q9H228
DOI: 10.7270/q23j3b5k
title: BindingDB Entry 755: Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 2. Probing the Indeno Ring Substituent Pattern

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2b27sk6
title: BindingDB Entry 2572: Design and Synthesis of 2- and 3-Substituted-3-phenylpropyl Analogs of 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine and 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine: Role of Amino, Fluoro, Hydroxyl, Methoxyl, Methyl, Methylene, and Oxo Substituents on Affinity fo

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2c24tnp
title: BindingDB Entry 752: Thio- and Oxoflavopiridols, Cyclin-Dependent Kinase 1-Selective Inhibitors: Synthesis and Biological Effects

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q2ft8jb2
title: BindingDB Entry 2571: (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Acid (BMS-644950): A Rationally Designed Orally Efficacious 3-Hydroxy-3-methylglutaryl Coenzyme-A Reductase Inhibitor with Reduced Myotoxicity Potential.

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q2gt5kc3
title: BindingDB Entry 747: Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-ray Crystallographic Analysis, and Biological Activities

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q2kk9937
title: BindingDB Entry 2568: Aza-peptidyl Michael Acceptors. A New Class of Potent and Selective Inhibitors of Asparaginyl Endopeptidases (Legumains) from Evolutionarily Diverse Pathogens.

description: Small molecule binding data for protein Asparaginyl Endopeptidase (AE), Uniprot A2DYT2 and Q9NFY9
DOI: 10.7270/q2mg7mqj
title: BindingDB Entry 741: Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2qc01t3
title: BindingDB Entry 2567: Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases.

description: Small molecule binding data for protein Methylthioadenosine Nucleosidase(MTAN), Methylthioadenosine Phosphorylase (MTAP), Purine Nucleoside Phosphorylase (PNP), and Purine nucleoside phosphorylase, Uniprot P00491, P0AF12, P55859, Q13126, and Q8DQ16
DOI: 10.7270/q2r78cdt
title: BindingDB Entry 740: Structure-Based Design of 2-Arylamino-4-cyclohexylmethyl-5-nitroso-6-aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 2 (CDK2), Uniprot P15206 and P24941
DOI: 10.7270/q2v40sh0
title: BindingDB Entry 2565: Development of potent purine-derived nitrile inhibitors of the trypanosomal protease TbcatB.

description: Small molecule binding data for protein Cathepsin B-Like Cysteine Protease (TbcatB)
DOI: 10.7270/q2w09433
title: BindingDB Entry 738: 4-Alkoxy-2,6-diaminopyrimidine Derivatives: Inhibitors of Cyclin Dependent Kinases 1and 2.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 2 (CDK2), Uniprot P15206 and P24941
DOI: 10.7270/q2zw1j6z
title: BindingDB Entry 2564: Targeting plague virulence factors: a combined machine learning method and multiple conformational virtual screening for the discovery of Yersinia protein kinase A inhibitors.

description: Small molecule binding data for protein MAP kinase ERK2, Protein Kinase YpkA, and Protein kinase C alpha type, Uniprot P17252, P28482, and Q9RI12
DOI: 10.7270/q25d8q4t
title: BindingDB Entry 2591: Synthesis, monoamine transporter binding, properties, and functional monoamine uptake activity of 3beta-[4-methylphenyl and 4-chlorophenyl]-2 beta-[5-(substituted phenyl)thiazol-2-yl]tropanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, and Transporter, Uniprot P23975, P23977, P31645, P31652, and Q01959
DOI: 10.7270/q26971w9
title: BindingDB Entry 2575: Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q27942ww
title: BindingDB Entry 753: Thio- and Oxoflavopiridols, Cyclin-Dependent Kinase 1-Selective Inhibitors: Synthesis and Biological Effects

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q2b27sh9
title: BindingDB Entry 768: Isoindolinone ureas: a novel class of KDR kinase inhibitors

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2jm27xj
title: BindingDB Entry 2584: Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition.

description: Small molecule binding data for protein Cyclooxygenase, Lipoxygenase-1, and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P08170, and P35354
DOI: 10.7270/q2kk990w
title: BindingDB Entry 765: Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2pc30pq
title: BindingDB Entry 2583: Design and synthesis of novel 2-amino-5-hydroxyindole derivatives that inhibit human 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2qc01p9
title: BindingDB Entry 763: Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968 and Q02763
DOI: 10.7270/q2t43rd2
title: BindingDB Entry 2581: Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P12530
DOI: 10.7270/q2xw4h31
title: BindingDB Entry 2579: Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase, Uniprot P12530
DOI: 10.7270/q2zs2tpw
title: BindingDB Entry 759: 1H-Pyrazolo[3,4-b]pyridine Inhibitors of Cyclin-Dependent Kinases: Highly Potent 2,6-Difluorophenacyl Analogues.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q21j97z9
title: BindingDB Entry 806: Discovery of a Potent and Selective Inhibitor of Cyclin-Dependent Kinase 4/6

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P20248, and P24941
DOI: 10.7270/q21n7zfj
title: BindingDB Entry 2595: Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.

description: Small molecule binding data for protein Estrogen-Related Receptor, alpha, Uniprot P11474
DOI: 10.7270/q22j692n
title: BindingDB Entry 771: Synthesis and Biological Evaluation of 1-Aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one Inhibitors of Cyclin-Dependent Kinases

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q26971sz
title: BindingDB Entry 770: N-(Cycloalkylamino)acyl-2-aminothiazole Inhibitors of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide (BMS-387032), a Highly Efficacious and Selective Antitumor Agent

description: Small molecule binding data for protein CDK2/CycE, Uniprot P24864 and P24941
DOI: 10.7270/q2930rgt
title: BindingDB Entry 2589: Identification of small molecule agonists of the orphan nuclear receptors liver receptor homolog-1 and steroidogenic factor-1.

description: Small molecule binding data for protein Liver Receptor Homolog 1 and Steroidogenic Factor 1, Uniprot O00482 and Q13285
DOI: 10.7270/q2cv4g1d
title: BindingDB Entry 2602: Synthesis and biological evaluation of 3-aryl-3-(4-phenoxy)-propionic acid as a novel series of G protein-coupled receptor 40 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2dv1h3w
title: BindingDB Entry 789: Synthesis and Structure-Activity Relationships of Soluble 7-Substituted 3-(3,5-Dimethoxyphenyl)-1,6-naphthyridin-2-amines and Related Ureas as Dual Inhibitors of the Fibroblast Growth Factor Receptor-1 and Vascular Endothelial Growth Factor Receptor-2 Tyrosine Kinases.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Platelet-derived growth factor receptor, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P05622, P11362, P12931, and P35968
DOI: 10.7270/q2dv1h5s
title: BindingDB Entry 2585: Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases.

description: Small molecule binding data for protein 5-Lipoxygenase, Cyclooxygenase, Lipoxygenase-1, and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P08170, and P35354
DOI: 10.7270/q2ft8j85
title: BindingDB Entry 766: Discovery and Evaluation of 2-Anilino-5-aryloxazoles as a Novel Class of VEGFR2 Kinase Inhibitors

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2hm56q8
title: BindingDB Entry 2600: 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme-Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1), 11-beta-hydroxysteroid dehydrogenase 1, and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P16232, P28845, P50172, and P80365
DOI: 10.7270/q2jm27vn
title: BindingDB Entry 788: Investigation of the Effect of Varying the 4-Anilino and 7-Alkoxy Groups of 3-Quinolinecarbonitriles on the Inhibition of Src Kinase Activity

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2nc5zg2
title: BindingDB Entry 2599: Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2pc30kc
title: BindingDB Entry 787: Investigation of the Effect of Varying the 4-Anilino and 7-Alkoxy Groups of 3-Quinolinecarbonitriles on the Inhibition of Src Kinase Activity

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2s46q77
title: BindingDB Entry 2598: Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.

description: Small molecule binding data for protein Estrogen-Related Receptor, gamma, Uniprot P62508
DOI: 10.7270/q2t43r88
title: BindingDB Entry 784: Synthesis and Src Kinase Inhibitory Activity of 2-Phenyl- and 2-Thienyl-7-phenylaminothieno[3,2-b]pyridine-6-carbonitriles

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1 and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519 and P12931
DOI: 10.7270/q2v1230q
title: BindingDB Entry 760: 1H-Pyrazolo[3,4-b]pyridine Inhibitors of Cyclin-Dependent Kinases: Highly Potent 2,6-Difluorophenacyl Analogues.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q2ww7fz7
title: BindingDB Entry 2597: Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estrogen-Related Receptor, gamma, Uniprot P03372 and P62508
DOI: 10.7270/q2xs5smd
title: BindingDB Entry 780: Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q20p0xb5
title: BindingDB Entry 2606: Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8
DOI: 10.7270/q23f4mx3
title: BindingDB Entry 2620: 4,5-dihydroxypyrimidine carboxamides and N-alkyl-5-hydroxypyrimidinone carboxamides are potent, selective HIV integrase inhibitors with good pharmacokinetic profiles in preclinical species.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q24f1p2w
title: BindingDB Entry 2605: 4-Benzyl-1H-imidazoles with Oxazoline Termini as Histamine H3 Receptor Agonists

description: Small molecule binding data for protein Histamine receptor (H3) and Histamine receptor (H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q25b00n4
title: BindingDB Entry 801: Pyrido[2,3-d]pyrimidin-7-one Inhibitors of Cyclin-Dependent Kinases.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), and Fibroblast growth factor receptor 1, Uniprot P06493, P11362, P11802, P14635, P20248, P24864, and P24941
DOI: 10.7270/q2765cnt
title: BindingDB Entry 2618: Design and synthesis of bicyclic pyrimidinones as potent and orally bioavailable HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2833q6n
title: BindingDB Entry 834: 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitriles as Potent Src Kinase

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2862drr
title: BindingDB Entry 2603: Solid phase synthesis and SAR of small molecule agonists for the GPR40 receptor

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2930rcg
title: BindingDB Entry 798: Discovery of a New Class of Anilinoquinazoline Inhibitors with High Affinity and Specificity for the Tyrosine Kinase Domain of c-Src

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P11362, P12931, P17948, and P35968
DOI: 10.7270/q2bz64bs
title: BindingDB Entry 2616: Discovery and synthesis of HIV integrase inhibitors: development of potent and orally bioavailable N-methyl pyrimidones.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2gm85mb
title: BindingDB Entry 2610: Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.

description: Small molecule binding data for protein GAR Tfase, Glycinamide ribonucleotide formyltransferase (GARFTase), and IMP Cyclohydrolase (IMPCH), Uniprot P08179, P22102, and P31939
DOI: 10.7270/q2mc8x97
title: BindingDB Entry 2609: Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.

description: Small molecule binding data for protein AICAR Tfase, Uniprot P31939
DOI: 10.7270/q2nc5zd5
title: BindingDB Entry 826: Synthesis and Structure-Activity Relationships of Pyrazine-Pyridine Biheteroaryls as Novel, Potent, and Selective Vascular Endothelial Growth Factor Receptor-2 Inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Epidermal growth factor receptor, Fibroblast growth factor receptor 2, Glycogen Synthase Kinase-3, beta, Platelet-derived growth factor receptor beta, and VEGFR-2 (KDR), Uniprot O08775, P00533, P06493, P09619, P14635, and P21802
DOI: 10.7270/q2r49p2d
title: BindingDB Entry 2608: Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2s46q5b
title: BindingDB Entry 818: Pyrido[2,3-d]pyrimidin-7-ones as Specific Inhibitors of Cyclin-Dependent Kinase 4.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P20248, P24864, and P24941
DOI: 10.7270/q2vx0dtd
title: BindingDB Entry 2607: A potent and selective histamine H4 receptor antagonist with anti-inflammatory properties.

description: Small molecule binding data for protein Histamine H1 Receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, Histamine H4 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P31389, P35367, P47747, P70174, Q91ZY1, Q91ZY2, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2ww7fvw
title: BindingDB Entry 812: 2-Aminoquinazoline inhibitors of cyclin-dependent kinases

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P20248, P24864, and P24941
DOI: 10.7270/q20p0x7t
title: BindingDB Entry 836: Inhibitors of Src Tyrosine Kinase: The Preparation and Structure-Activity Relationship of 4-Anilino-3-cyanoquinolines and 4-Anilinoquinazolines

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q22f7kqt
title: BindingDB Entry 2651: Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P00813
DOI: 10.7270/q23f4mtr
title: BindingDB Entry 850: Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941