cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2bk19pn
title: BindingDB Entry 3110: Discovery of tetrahydro-cyclopenta[b]indole as selective LXRs modulator.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2cf9nb8
title: BindingDB Entry 1599: Structure- and property-based design of factor Xa inhibitors: Pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2dv1h2f
title: BindingDB Entry 16: Small Molecule Enhancement of 20S Proteasome Activity Targets Intrinsically Disordered Proteins.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and Proteasome subunit alpha type-6, Uniprot P34969 and P60900
DOI: 10.7270/q2f76b0g
title: BindingDB Entry 4135: Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao.

description: Small molecule binding data for protein regulator of G-protein signaling 4, Uniprot P49798
DOI: 10.7270/q2gb22dc
title: BindingDB Entry 3109: Design, synthesis, and evaluation of peptidomimetics containing Freidinger lactams as STAT3 inhibitors.

description: Small molecule binding data for protein Transcription Factor STAT3
DOI: 10.7270/q2j101md
title: BindingDB Entry 4142: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.

description: Small molecule binding data for protein metallo-beta-lactamase IMP-1
DOI: 10.7270/q2jm27sr
title: BindingDB Entry 15: Efficient Inhibition of SmNACE by Coordination Complexes Is Abolished by S. mansoni Sequestration of Metal.

description: Small molecule binding data for protein C-His6-SmNACE and SmNACE, Uniprot Q32TF5
DOI: 10.7270/q2k072pb
title: BindingDB Entry 4134: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS competition at M3

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P20309
DOI: 10.7270/q2m043m1
title: BindingDB Entry 1613: Discovery of 2-[4-{{2-(2S,5R)-2-Cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-4-pyridinecarboxylic Acid (ABT-279): A Very Potent, Selective, Effective, and Well-Tolerated Inhibitor of Dipeptidyl Peptidase-IV, Useful for the Treatment of Diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2m32t38
title: BindingDB Entry 3107: Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2ns0s90
title: BindingDB Entry 4141: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.

description: Small molecule binding data for protein Beta lactamase
DOI: 10.7270/q2pc30hg
title: BindingDB Entry 14: A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos.

description: Small molecule binding data for protein CRBN-DDB1, Uniprot Q13289 Q58F96 A6NG77 B4DG00 Q16531 O15176 B2R648 and Q96SW2
DOI: 10.7270/q2qr4vb2
title: BindingDB Entry 1607: Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone (R547), A Potent and Selective Cyclin-Dependent Kinase Inhibitor with Significant in Vivo Antitumor Activity.

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/q2qr4vfd
title: BindingDB Entry 3105: Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2sf2tm0
title: BindingDB Entry 4140: Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.

description: Small molecule binding data for protein metallo-beta-lactamase IMP-1
DOI: 10.7270/q2t151tg
title: BindingDB Entry 13: Discovery and Characterization of a Eukaryotic Initiation Factor 4A-3-Selective Inhibitor That Suppresses Nonsense-Mediated mRNA Decay.

description: Small molecule binding data for protein ATP-dependent RNA helicase DHX29, Eukaryotic initiation factor 4A-I, Eukaryotic initiation factor 4A-II, Eukaryotic initiation factor 4A-III, and U5 small nuclear ribonucleoprotein 200 kDa helicase, Uniprot P60842, Q6IBQ2 Q96A18 P38919 Q15033, Q6NZY0 Q9H7S0 Q6PX59 O94884 Q8NBE6 O75643 Q96IF2, Q8N3A1 Q8IWW2 Q7Z478 O75549 Q63HN0 Q63HN3 Q9UMH2, and Q96B90 Q53XJ6 D3DNU9 Q14240 Q96EA8
DOI: 10.7270/q2vh5m2s
title: BindingDB Entry 1606: Molecular Structures of Human Factor Xa Complexed with Ketopiperazine Inhibitors: Preference for a Neutral Group in the S1 Pocket.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2vh5m4p
title: BindingDB Entry 3104: Identification of a selective thieno[2,3-c]pyridine inhibitor of COT kinase and TNF-alpha production.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, MAP kinase ERK2, and Mitogen-activated protein kinase kinase kinase 8, Uniprot P28482, P41279, and Q02750
DOI: 10.7270/q2x63kbq
title: BindingDB Entry 4139: Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase

description: Small molecule binding data for protein Beta lactamase
DOI: 10.7270/q2xs5sjh
title: BindingDB Entry 12: Phylogenomic Analysis of the Microviridin Biosynthetic Pathway Coupled with Targeted Chemo-Enzymatic Synthesis Yields Potent Protease Inhibitors.

description: Small molecule binding data for protein Chymotrypsin-like elastase family member 1 and Trypsin, Uniprot P00760 and Q28153 A6QPW5
DOI: 10.7270/q20z71p9
title: BindingDB Entry 4146: Discovery of inhibitors that elucidate the role of UCH-L1 activity in the H1299 lung cancer cell line.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) and Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCH-L3), Uniprot Q9JKB1 and Q9R0P9
DOI: 10.7270/q21j97wd
title: BindingDB Entry 19: Cell Lysate-Based AlphaLISA Deubiquitinase Assay Platform for Identification of Small Molecule Inhibitors.

description: Small molecule binding data for protein Ubiquitin C-terminal Hydrolase L3 (UCH-L3), Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin carboxyl-terminal hydrolase isozyme L1, and Ubiquitin carboxyl-terminal hydrolase isozyme L5, Uniprot O75604, P09936, P15374, Q9UNP0 Q08AL5 Q9H8G9 Q9Y4E8 Q9HCA6 Q9Y5B5, and Q9Y5K5
DOI: 10.7270/q2222s3j
title: BindingDB Entry 3127: New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C(8) Substitution in Structural Analogues of S-Adenosylmethionine

description: Small molecule binding data for protein S-adenosylmethionine decarboxylase 1, Uniprot P17707
DOI: 10.7270/q2319t41
title: BindingDB Entry 1621: Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor VII, Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00740, P00742, P00760, and P08709
DOI: 10.7270/q24b2zfg
title: BindingDB Entry 27: Substituted benzamides and methods of use thereof

description: Small molecule binding data for protein Sodium Channel Complex, Sodium channel alpha subunit, and Voltage-gated sodium channel subunit Nav1.5, Uniprot P35498, P35499, Q14524, Q15858, Q99250, Q9NY46, Q9UI33, Q9UQD0, and Q9Y5Y9
DOI: 10.7270/q24q7sdn
title: BindingDB Entry 4145: Pin1 and Par14 peptidyl prolyl isomerase inhibitors block cell proliferation.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase, Uniprot P22696
DOI: 10.7270/q25t3hq6
title: BindingDB Entry 1634: Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands

description: Small molecule binding data for protein HIV-1 Protease, HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A), HIV-1 Protease Mutant M2 (D30N, L63P, N88D), and HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
DOI: 10.7270/q25t3hs3
title: BindingDB Entry 3125: Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q9P1W9
DOI: 10.7270/q2833q56
title: BindingDB Entry 26: Antiviral compounds

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase and RNA polymerase (NS5B), Uniprot P27958 and Q9WMX2
DOI: 10.7270/q28g8j4c
title: BindingDB Entry 4144: Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of POS-1 Binding to mex-3-RNA

description: Small molecule binding data for protein POsterior Segregation family member (pos-1)
DOI: 10.7270/q29k48gc
title: BindingDB Entry 1633: Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1Hpyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor X/antithrombin III, and Prothrombin, Uniprot P00734, P00740, and P00742
DOI: 10.7270/q29k48j8
title: BindingDB Entry 3124: Exploiting the pyrazolo[3,4-d]pyrimidin-4-one ring system as a useful template to obtain potent adenosine deaminase inhibitors.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2c827qv
title: BindingDB Entry 4151: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.

description: Small molecule binding data for protein MPI protein, Uniprot P34949
DOI: 10.7270/q2cv4fw6
title: BindingDB Entry 24: Inhibitors of the Diadenosine Tetraphosphate Phosphorylase Rv2613c of Mycobacterium tuberculosis.

description: Small molecule binding data for protein AP-4-A phosphorylase, Uniprot P9WMK9
DOI: 10.7270/q2d798vp
title: BindingDB Entry 4143: Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of Mex-5 Binding to TCR-2

description: Small molecule binding data for protein RecName: Full=Zinc finger protein mex-5, Uniprot Q9XUB2
DOI: 10.7270/q2fb515n
title: BindingDB Entry 1632: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2fb5180
title: BindingDB Entry 3123: Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845
DOI: 10.7270/q2g73bxr
title: BindingDB Entry 1616: Discovery of ((4R,5S)-5-Amino-4-(2,4,5- trifluorophenyl)cyclohex-1-enyl)-(3- (trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone (ABT-341), a Highly Potent, Selective, Orally Efficacious, and Safe Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2h130fk
title: BindingDB Entry 4150: Dose-Response of Allosteric Antagonists for the VLA-4 Integrin

description: Small molecule binding data for protein Integrin alpha-4, Uniprot P13612
DOI: 10.7270/q2hm56mx
title: BindingDB Entry 23: Selective Targeting of Bromodomains of the Bromodomain-PHD Fingers Family Impairs Osteoclast Differentiation.

description: Small molecule binding data for protein Bromodomain and PHD finger-containing protein 3, Bromodomain-containing protein 1, Bromodomain-containing protein 4, Peregrin, and Transcription intermediary factor 1-alpha, Uniprot O15164, O60885, O95696, P55201, and Q9ULD4
DOI: 10.7270/q2k072h3
title: BindingDB Entry 1628: 5-Amidinobenzo[b]thiophenes as dual inhibitors of factors IXa and Xa

description: Small molecule binding data for protein Coagulation factor IX and X and Coagulation factor X/antithrombin III, Uniprot P00740 and P00742
DOI: 10.7270/q2k35s0b
title: BindingDB Entry 3121: Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors.

description: Small molecule binding data for protein Trypanothione Reductase (TryR) and Trypanothione reductase, Uniprot P28593 and P39051
DOI: 10.7270/q2ms3r62
title: BindingDB Entry 4149: High Throughput Screening Assay for Hsc70 Inhibitors

description: Small molecule binding data for protein heat shock 70kDa protein 8 isoform 1, Uniprot P11142
DOI: 10.7270/q2nc5zcq
title: BindingDB Entry 22: A systematic quantitative approach to rational drug design and discovery of novel human carbonic anhydrase IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 9, Uniprot Q16790
DOI: 10.7270/q2pr7t6p
title: BindingDB Entry 1626: 5-Amidinoindoles as dual inhibitors of coagulation factors IXa and Xa.

description: Small molecule binding data for protein Coagulation factor IX and X and Coagulation factor X/antithrombin III, Uniprot P00740 and P00742
DOI: 10.7270/q2pv6hpw
title: BindingDB Entry 3119: Novel N-substituted 2-phenyl-1-sulfonylamino-cyclopropane carboxylates as selective ADAMTS-5 (Aggrecanase-2) inhibitors.

description: Small molecule binding data for protein ADAMTS-5 (Aggrecanase-2)
DOI: 10.7270/q2rj4gwx
title: BindingDB Entry 4148: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Target

description: Small molecule binding data for protein Hematopoietic protein-tyrosine phosphatase (HEPTP), Uniprot P35236
DOI: 10.7270/q2s46q3f
title: BindingDB Entry 21: Discovery of a series of hydroximic acid derivatives as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 8, Uniprot Q9BY41
DOI: 10.7270/q2th8jx0
title: BindingDB Entry 1624: SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa.

description: Small molecule binding data for protein Coagulation factor IX and X and Coagulation factor X/antithrombin III, Uniprot P00740 and P00742
DOI: 10.7270/q2th8k1r
title: BindingDB Entry 3116: 1,3,4-Oxadiazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 2: SAR of the C5 position.

description: Small molecule binding data for protein HIV-1 Integrase
DOI: 10.7270/q2w66j6b
title: BindingDB Entry 4147: MKP-3 in vitro HTS assay

description: Small molecule binding data for protein MKP-3, Uniprot Q64346
DOI: 10.7270/q2ws8rd4
title: BindingDB Entry 20: Synthetic Lethality Triggered by Combining Olaparib with BRCA2-Rad51 Disruptors.

description: Small molecule binding data for protein RAD51-BRCA2 BRC repeat complex, Uniprot O00183 O15008 Q13879 Q5TBJ7 P51587 and Q06609
DOI: 10.7270/q2z899nq
title: BindingDB Entry 1623: Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2z899qm
title: BindingDB Entry 3115: The use of oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 1: Establishing the pharmacophore.

description: Small molecule binding data for protein HIV-1 Integrase
DOI: 10.7270/q20000hb
title: BindingDB Entry 4154: Oxadiazole SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant

description: Small molecule binding data for protein cell division cycle 42 (GTP binding protein, 25kDa), Uniprot P60953
DOI: 10.7270/q20k26q4
title: BindingDB Entry 28: Substituted pyrazolopyrimidines as kinases inhibitors

description: Small molecule binding data for protein Epidermal growth factor receptor(L858R), Epidermal growth factor receptor(L858R, T790M), and Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2125qvd
title: BindingDB Entry 1661: First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2125r0m
title: BindingDB Entry 3142: Synthesis of small molecule inhibitors of the orphan nuclear receptor steroidogenic factor-1 (NR5A1) based on isoquinolinone scaffolds.

description: Small molecule binding data for protein Steroidogenic Factor 1, Uniprot Q13285
DOI: 10.7270/q2222s06
title: BindingDB Entry 1638: Pim-1 Ligand-bound Structures Reveal the Mechanism of Serine/Threonine Kinase Inhibition by LY294002.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q23b5x93
title: BindingDB Entry 35: Ethynyl derivatives

description: Small molecule binding data for protein Metabotropic glutamate receptor 4, Uniprot Q14833
DOI: 10.7270/q23r0r8t
title: BindingDB Entry 4153: uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells

description: Small molecule binding data for protein nucleotide-binding oligomerization domain containing 2, Uniprot Q9HC29
DOI: 10.7270/q24t6gkt
title: BindingDB Entry 1656: Carbonic Anhydrase Inhibitors: Clash with Ala65 as a Means for Designing Inhibitors with Low Affinity for the Ubiquitous Isozyme II, Exemplified by the Crystal Structure of the Topiramate Sulfamide Analogue.

description: Small molecule binding data for protein Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P22748, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q24t6gp5
title: BindingDB Entry 3140: Synthesis and SAR of tolylamine 5-HT6 antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q26h4ft9
title: BindingDB Entry 4160: Additional SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant

description: Small molecule binding data for protein cell division cycle 42 (GTP binding protein, 25kDa), Uniprot P60953
DOI: 10.7270/q2736p1t
title: BindingDB Entry 34: Benzamide derivative

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.7270/q27h1h0j
title: BindingDB Entry 4152: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP)

description: Small molecule binding data for protein Zinc aminopeptidase, Uniprot O96935
DOI: 10.7270/q28k779j
title: BindingDB Entry 1655: Synthesis and Src Kinase Inhibitory Activity of a Series of 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q28k77cf
title: BindingDB Entry 3139: 1-Sulfonylindazoles as potent and selective 5-HT6 ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin receptor (2b and 2c), Uniprot P08908, P14416, P28221, P28222, P28335, P34969, P41595, and P50406
DOI: 10.7270/q2b856j1
title: BindingDB Entry 4159: Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant

description: Small molecule binding data for protein cell division cycle 42 (GTP binding protein, 25kDa), Uniprot P60953
DOI: 10.7270/q2bv7drt
title: BindingDB Entry 33: Methods of treating retroviral infections and related dosage regimes

description: Small molecule binding data for protein HIV RT (41L/210W/215Y/184V/69SSS), HIV RT (41L/67N/210W/215Y/184V), HIV RT (41L/67N/70R/215F/219E), HIV RT (65R/184V), HIV RT (75I/77L/116Y/151M/184V), and HIV-1 B HXB2-LAI-IIIB-BRU, Uniprot P04578
DOI: 10.7270/q2db802q
title: BindingDB Entry 1654: Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P11086
DOI: 10.7270/q2db804m
title: BindingDB Entry 3137: Novel tricyclic inhibitors of IkappaB kinase.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha) and Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920 and O15111
DOI: 10.7270/q2g15z8c
title: BindingDB Entry 4158: Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant

description: Small molecule binding data for protein cell division cycle 42 (GTP binding protein, 25kDa), Uniprot P60953
DOI: 10.7270/q2gm85gj
title: BindingDB Entry 32: IBAT inhibitors for the treatment of liver disease

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2j38qr6
title: BindingDB Entry 1652: Discovery of the Novel Antithrombotic Agent 5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide (BAY 59-7939): An Oral, Direct Factor Xa Inhibitor

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2j38qvj
title: BindingDB Entry 3136: Discovery of XL335 (WAY-362450), a Highly Potent, Selective, and Orally Active Agonist of the Farnesoid X Receptor (FXR).

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2ks6q0s
title: BindingDB Entry 4157: Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype protein

description: Small molecule binding data for protein cell division cycle 42 (GTP binding protein, 25kDa), Uniprot P60953
DOI: 10.7270/q2mc8x6w
title: BindingDB Entry 31: Biaryl amide compounds as kinase inhibitors

description: Small molecule binding data for protein B-RAF V600E, C-RAF, and C-Raf TR (1-324)
DOI: 10.7270/q2ns0s4r
title: BindingDB Entry 1651: 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein and Serine/threonine-protein kinase Aurora, Uniprot O14965 and Q96GD4