cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27m0cmm
title: BindingDB Entry 50012391: How a Fragment Draws Attention to Selectivity Discriminating Features between the Related Proteases Trypsin and Thrombin.

description: Small molecule binding data for protein Thyroid hormone receptor beta, Uniprot P10828
DOI: 10.7270/q27m0cn2
title: BindingDB Entry 50013017: Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator.

description: Small molecule binding data for protein Bile acid receptor, Uniprot Q96RI1
DOI: 10.7270/q27m0cph
title: BindingDB Entry 50013687: Discovery of a novel small-molecule inhibitor of Fam20C that induces apoptosis and inhibits migration in triple negative breast cancer.

description: Small molecule binding data for protein Extracellular serine/threonine protein kinase FAM20C, Uniprot Q8IXL6
DOI: 10.7270/q27m0cqz
title: BindingDB Entry 50014014: Discovery of chiral N-2'-aryletheryl-1'-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium.

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor beta, Uniprot P03372 and Q92731
DOI: 10.7270/q27m0crd
title: BindingDB Entry 50014322: Discovery and Toxicological Profiling of Aminopyridines as Orally Bioavailable Selective Inhibitors of PI3-Kinase γ.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot O00329, P42336, P42338, P48736, and Q08499
DOI: 10.7270/q27m0csv
title: BindingDB Entry 50014676: Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor subfamily 1 group I member 2, Potassium voltage-gated channel subfamily H member 2, Sodium channel protein type 5 subunit alpha, Solute carrier organic anion transporter family member 1B1, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O75469, P08684, P10632, P10635, P11597, P11712, Q12809, Q13936, Q14524, and Q9Y6L6
DOI: 10.7270/q27p92d9
title: BindingDB Entry 9075: 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A and Glycogen synthase kinase-3 beta, Uniprot P49841 and Q13627
DOI: 10.7270/q27p92fr
title: BindingDB Entry 9462: 1H-pyrazolo[4,3-b]pyridines as PDE1 inhibitors

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, and Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C, Uniprot P54750, Q01064, and Q14123
DOI: 10.7270/q27p92g6
title: BindingDB Entry 9849: Imidazopyrrolopyridine as inhibitors of the JAK family of kinases

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A], Tyrosine-protein kinase JAK1 [574-1154], Tyrosine-protein kinase JAK2 [532-1132], and Tyrosine-protein kinase JAK3 [512-1124], Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q27p92hn
title: BindingDB Entry 10058: Substituted bicyclic compounds

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1 and Sphingosine 1-phosphate receptor 3, Uniprot O08530 and Q99500
DOI: 10.7270/q27p92j3
title: BindingDB Entry 10236: Heterocycle comprising tyrosine kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q27p92kj
title: BindingDB Entry 10445: Dipeptidyl ketoamide meta-methoxyphenyl derivatives and uses thereof

description: Small molecule binding data for protein Calpain-1 catalytic subunit, Uniprot P07384
DOI: 10.7270/q27p92m0
title: BindingDB Entry 10623: Substituted piperidines as kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK and Tyrosine-protein kinase JAK3, Uniprot P52333 and Q06187
DOI: 10.7270/q27p92nf
title: BindingDB Entry 10832: Tricyclic amine compounds as CDK2 inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Uniprot P24864 and P24941
DOI: 10.7270/q27p92pw
title: BindingDB Entry 50007078: Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach †.

description: Small molecule binding data for protein Albumin and Phosphatidylinositol 4-kinase beta, Uniprot P02768 and Q9UBF8
DOI: 10.7270/q27p92qb
title: BindingDB Entry 50007696: Discovery, Structure-Activity Relationship, and Biological Activity of Histone-Competitive Inhibitors of Histone Acetyltransferases P300/CBP.

description: Small molecule binding data for protein CREB-binding protein, Histone acetyltransferase KAT2B, Histone acetyltransferase KAT6A, and Histone acetyltransferase p300, Uniprot Q09472, Q92793, Q92794, and Q92831
DOI: 10.7270/q27p92rs
title: BindingDB Entry 50008301: Leucine ureido derivatives as aminopeptidase N inhibitors using click chemistry. Part II.

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144 and P15145
DOI: 10.7270/q27p92s7
title: BindingDB Entry 50008647: A novel series of napabucasin derivatives as orally active inhibitors of signal transducer and activator of transcription 3 (STAT3).

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q27p92tp
title: BindingDB Entry 50008955: Discovery of thiazolidin-4-one urea analogues as novel multikinase inhibitors that potently inhibit FLT3 and VEGFR2.

description: Small molecule binding data for protein Epidermal growth factor receptor, Insulin-like growth factor 1 receptor, Mast/stem cell growth factor receptor Kit, Proto-oncogene tyrosine-protein kinase Src, Receptor-type tyrosine-protein kinase FLT3, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P08069, P10721, P12931, P35968, and P36888
DOI: 10.7270/q27p92v4
title: BindingDB Entry 50009293: β-Lactamase Inhibitors To Restore the Efficacy of Antibiotics against Superbugs.

description: Small molecule binding data for protein Beta-lactamase TEM, Uniprot P62593
DOI: 10.7270/q27p92wk
title: BindingDB Entry 50009900: Discovery of a new type of scaffold for the creation of novel tyrosinase inhibitors.

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q27p92x1
title: BindingDB Entry 50010469: Discovery of novel 2,4-disubstituted pyrimidines as Aurora kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, and Aurora kinase C, Uniprot O14965, Q96GD4, and Q9UQB9
DOI: 10.7270/q27p92zg
title: BindingDB Entry 50011095: Optimization of 8-oxoadenines with toll-like-receptor 7 and 8 activity.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8, Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q27p930b
title: BindingDB Entry 50011715: Discovery of 2-((R)-4-(2-Fluoro-4-(methylsulfonyl)phenyl)-2-methylpiperazin-1-yl)-N-((1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl)pyrimidine-4-carboxamide (SKI2852): A Highly Potent, Selective, and Orally Bioavailable Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase type 2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Glucocorticoid receptor, Mineralocorticoid receptor, UDP-glucuronosyltransferase 1A1, and cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D, Uniprot P04150, P05177, P08235, P08684, P10635, P11712, P22309, P27815, P28845, P33261, P40989, P50172, P80365, Q07343, Q08493, and Q08499
DOI: 10.7270/q27p931s
title: BindingDB Entry 50012064: Design, synthesis and evaluation of novel indirubin-based N-hydroxybenzamides, N-hydroxypropenamides and N-hydroxyheptanamides as histone deacetylase inhibitors and antitumor agents.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 2, and Histone deacetylase 6, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q27p9327
title: BindingDB Entry 50012342: GPR52 Antagonist Reduces Huntingtin Levels and Ameliorates Huntington's Disease-Related Phenotypes.

description: Small molecule binding data for protein G-protein coupled receptor 52, Uniprot Q9Y2T5
DOI: 10.7270/q27p933p
title: BindingDB Entry 50012684: Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase HCK, Uniprot P00533, P08631, P12931, and Q06187
DOI: 10.7270/q27p9344
title: BindingDB Entry 50013332: Simple analogues of natural product chelerythrine: Discovery of a novel anticholinesterase 2-phenylisoquinolin-2-ium scaffold with excellent potency against acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q27p935k
title: BindingDB Entry 50013965: Structure-activity relationships of pyrimidine nucleotides containing a 5'-α,β-methylene diphosphonate at the P2Y

description: Small molecule binding data for protein 5'-nucleotidase, P2Y purinoceptor 14, and P2Y purinoceptor 6, Uniprot P21588, Q15077, and Q15391
DOI: 10.7270/q27p9361
title: BindingDB Entry 50014626: Discovery of 1-Amino-1

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, and Tyrosine-protein kinase Tec, Uniprot P00533, P05177, P08684, P10635, P33261, P42680, P51451, P51813, Q06187, and Q08881
DOI: 10.7270/q27s7rt7
title: BindingDB Entry 9044: Therapeutic compounds

description: Small molecule binding data for protein Bromodomain-containing protein 4 [42-168] and CREB-binding protein, Uniprot O60885 and Q92793
DOI: 10.7270/q27s7rvp
title: BindingDB Entry 9253: Alkynyl dihydroquinoline sulfonamide compounds

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha, Uniprot Q15858
DOI: 10.7270/q27s7rw4
title: BindingDB Entry 9640: Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1 [64-515], Uniprot P00519
DOI: 10.7270/q27s7rxk
title: BindingDB Entry 10027: Inhibitors of RIP1 kinase and methods of use thereof

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546
DOI: 10.7270/q27s7rz1
title: BindingDB Entry 10414: Heterocycles useful as anti-cancer agents

description: Small molecule binding data for protein Cyclin-A2 [177-432]/Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Histone deacetylase 1, and Histone deacetylase 6, Uniprot P11802, P20248, P24941, P30281, Q00534, Q13547, and Q9UBN7
DOI: 10.7270/q27s7s0w
title: BindingDB Entry 10801: LSD1 inhibitor and preparation method and application thereof

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q27s7s1b
title: BindingDB Entry 50006767: Fragment Based Optimization of Metabotropic Glutamate Receptor 2 (mGluR2) Positive Allosteric Modulators in the Absence of Structural Information.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Metabotropic glutamate receptor 2, Uniprot P05177, P08684, P10635, P11712, and Q14416
DOI: 10.7270/q27s7s2s
title: BindingDB Entry 50007035: A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT2, Spindlin-1, Spindlin-2B, Spindlin-3, and Spindlin-4, Uniprot Q56A73, Q5JUX0, Q96KQ7, Q9BPZ2, and Q9Y657
DOI: 10.7270/q27s7s37
title: BindingDB Entry 50007359: Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Retinoic acid receptor RXR-beta, and Retinoic acid receptor RXR-gamma, Uniprot P19793, P28702, and P48443
DOI: 10.7270/q27s7s4p
title: BindingDB Entry 50007972: 1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q27s7s54
title: BindingDB Entry 50008588: Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, P25440, and Q15059
DOI: 10.7270/q27s7s6k
title: BindingDB Entry 50009231: Discovery of a small molecule RXFP3/4 agonist that increases food intake in rats upon acute central administration.

description: Small molecule binding data for protein Relaxin-3 receptor 1/2 and Relaxin-3 receptor 2, Uniprot Q8TDU9 and Q9NSD7
DOI: 10.7270/q27s7s71
title: BindingDB Entry 50009565: Substrate-Specific Inhibition Constants for Phospholipase A

description: Small molecule binding data for protein 85/88 kDa calcium-independent phospholipase A2, Cytosolic phospholipase A2, and Group XIIB secretory phospholipase A2-like protein, Uniprot O60733, P47712, and Q9BX93
DOI: 10.7270/q27s7s8g
title: BindingDB Entry 50009850: Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q27s7s9x
title: BindingDB Entry 50010166: Oxadiazole scaffolds in anti-tuberculosis drug discovery.

description: Small molecule binding data for protein HTH-type transcriptional regulator EthR, Uniprot P9WMC1
DOI: 10.7270/q27s7sbc
title: BindingDB Entry 50010755: Inhibitors of Hypoxia-Inducible Factors as Treatment for Cancer.

description: Small molecule binding data for protein Endothelial PAS domain-containing protein 1, Uniprot Q99814
DOI: 10.7270/q27s7sct
title: BindingDB Entry 50011381: Backbone Cyclization Turns a Venom Peptide into a Stable and Equipotent Ligand at Both Muscle and Neuronal Nicotinic Receptors.

description: Small molecule binding data for protein Acetylcholine receptor subunit alpha/beta/delta/gamma, Acetylcholine receptor subunit delta, Acetylcholine receptor subunit gamma, Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3, and Neuronal acetylcholine receptor subunit alpha-3/beta-2, Uniprot P04757, P12390, P12391, P18916, P25108, P25109, P25110, and P43143
DOI: 10.7270/q27s7sd8
title: BindingDB Entry 50012021: Comprehensive review on the anti-bacterial activity of 1,2,3-triazole hybrids.

description: Small molecule binding data for protein Cholesterol side-chain cleavage enzyme, mitochondrial, Uniprot P14137
DOI: 10.7270/q27s7sfq
title: BindingDB Entry 50012637: Design, synthesis, in-vitro, in-vivo and in-silico studies of pyrrolidine-2,5-dione derivatives as multitarget anti-inflammatory agents.

description: Small molecule binding data for protein Cytochrome c oxidase subunit 2, Polyunsaturated fatty acid 5-lipoxygenase, and Prostaglandin G/H synthase 1, Uniprot P00403, P05979, and P09917
DOI: 10.7270/q27s7sg5
title: BindingDB Entry 50012966: Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q27s7shm
title: BindingDB Entry 50013278: Discovery of a novel series of imidazo[1',2':1,6]pyrido[2,3-d]pyrimidin derivatives as potent cyclin-dependent kinase 4/6 inhibitors.

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-H/Cyclin-dependent kinase 7, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Uniprot O60563, P06493, P11802, P14635, P20248, P24941, P30281, P50613, P50750, and P51946
DOI: 10.7270/q27s7sj2
title: BindingDB Entry 50013628: Tellurides bearing benzensulfonamide as carbonic anhydrase inhibitors with potent antitumor activity.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot P00915, P00918, P22748, P43166, and Q16790
DOI: 10.7270/q27s7skh
title: BindingDB Entry 50014269: Structural and Activity Relationships of 6-Sulfonyl-8-Nitrobenzothiazinones as Antitubercular Agents.

description: Small molecule binding data for protein Decaprenylphosphoryl-beta-D-ribose oxidase, Uniprot P9WJF1
DOI: 10.7270/q27w6g7z
title: BindingDB Entry 9222: KCNQ2-5 channel activator

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809
DOI: 10.7270/q27w6g8d
title: BindingDB Entry 9431: Bicyclic heterocyclic compound

description: Small molecule binding data for protein Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, Uniprot Q8N5Z0
DOI: 10.7270/q27w6g9v
title: BindingDB Entry 9609: Zwitterionic propargyl-linked antifolates useful for treating bacterial infections

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q27w6gb9
title: BindingDB Entry 9818: Cyclopentane-based modulators of STING (stimulator of interferon genes)

description: Small molecule binding data for protein Stimulator of interferon genes protein and Stimulator of interferon genes protein [H232R], Uniprot Q86WV6
DOI: 10.7270/q27w6gcr
title: BindingDB Entry 10205: Pyridazinone compounds and their use as DAAO inhibitors

description: Small molecule binding data for protein D-amino-acid oxidase, Uniprot P14920
DOI: 10.7270/q27w6gd6
title: BindingDB Entry 10592: Substituted carboxamides as inhibitors of WDR5 protein-protein binding

description: Small molecule binding data for protein Histone-lysine N-methyltransferase 2A, MLL1-WRAD2 complex, and WD repeat-containing protein 5, Uniprot P61964, Q03164, Q15291, Q969U6, Q9C005, and Q9UBL3
DOI: 10.7270/q27w6gfn
title: BindingDB Entry 50006714: C-terminal modulators of heat shock protein of 90 kDa (HSP90): State of development and modes of action.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q27w6gg3
title: BindingDB Entry 50007304: Identification of selective and reversible LSD1 inhibitors with anti-metastasis activity by high-throughput docking.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q27w6ghj
title: BindingDB Entry 50007651: Discovery of Thieno[2,3-

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, O60885, P25440, P56524, Q13547, Q15059, Q58F21, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q27w6gj0
title: BindingDB Entry 50007926: -Benzyl/Aryl Substituted Tryptanthrin as Dual Inhibitors of Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Indoleamine 2,3-dioxygenase 2, and Tryptophan 2,3-dioxygenase, Uniprot P14902, P48775, and Q6ZQW0
DOI: 10.7270/q27w6gkf
title: BindingDB Entry 50008257: Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q27w6gmw
title: BindingDB Entry 50008907: Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q27w6gnb
title: BindingDB Entry 50009521: Novel natural compounds from endophytic fungi with anticancer activity.

description: Small molecule binding data for protein DNA topoisomerase I, Uniprot F1MN93
DOI: 10.7270/q27w6gps
title: BindingDB Entry 50010126: Investigation on 2',3'-

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 2, P2X purinoceptor 3, P2X purinoceptor 4, and P2X purinoceptor 7, Uniprot P51575, P56373, Q3UR32, Q99571, Q99572, and Q9UBL9
DOI: 10.7270/q27w6gq7
title: BindingDB Entry 50010425: Design and Synthesis of a Trifunctional Molecular System "Programmed" to Block Epidermal Growth Factor Receptor Tyrosine Kinase, Induce High Levels of DNA Damage, and Inhibit the DNA Repair Enzyme (Poly(ADP-ribose) Polymerase) in Prostate Cancer Cells.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q27w6grp
title: BindingDB Entry 50010701: Discovery and SAR of aryl hydroxy pyrimidinones as potent small molecule agonists of the GPCR APJ.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Apelin receptor, Cytochrome P450 4B1, and Nuclear receptor subfamily 1 group I member 2, Uniprot O75469, P13584, P35414, and P40989
DOI: 10.7270/q27w6gs4
title: BindingDB Entry 50011047: The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Bile salt export pump, Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and Cytochrome P450 3A4, Uniprot O60885, O95342, P08684, P25440, P40989, Q15059, and Q58F21