cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pv6jh2
title: BindingDB Entry 50007551: (+/-)-trans-2-[3-methoxy-4-(4-chlorophenylthioethoxy)-5-(N-methyl-N- hydroxyureidyl)methylphenyl]-5-(3,4, 5-trimethoxyphenyl)tetrahydrofuran (CMI-392), a potent dual 5-lipoxygenase inhibitor and platelet-activating factor receptor antagonist.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase and Platelet activating factor receptor, Uniprot P12527 and P25105
DOI: 10.7270/q2q52nn0
title: BindingDB Entry 50005061: 5,7-dihydro-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-6H- pyrrolo[3,2-f]-1,2-benzisoxazol-6-one: a potent and centrally-selective inhibitor of acetylcholinesterase with an improved margin of safety.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2sx6c71
title: BindingDB Entry 50005082: Synthetic chemical diversity: solid phase synthesis of libraries of C2 symmetric inhibitors of HIV protease containing diamino diol and diamino alcohol cores.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2th8kmc
title: BindingDB Entry 50000151: 3-[4-[1-(6-Fluorobenzo[b]thiophen-3-yl)-4-piperazinyl]butyl]- 2,5,5-trimethyl-4-thiazolidinone: a new atypical antipsychotic agent for the treatment of schizophrenia.

description: Small molecule binding data for protein DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Serotonin (5-HT) receptor, Uniprot P18901, P19327, and P61169
DOI: 10.7270/q2tm7987
title: BindingDB Entry 50007543: Synthesis and structure-activity relationships of bafilomycin A1 derivatives as inhibitors of vacuolar H+-ATPase.

description: Small molecule binding data for protein Vacuolar ATP synthase subunit S1, Uniprot Q15904
DOI: 10.7270/q2xk8dmx
title: BindingDB Entry 50005081: Synthesis and sigma binding properties of 1'- and 3'-halo- and 1',3'-dihalo-N-normetazocine analogues.

description: Small molecule binding data for protein OPIATE Sigma and Sigma, Uniprot Q99720 and Q9R0C9
DOI: 10.7270/q2xs5t7w
title: BindingDB Entry 7946: Interaction of Azole-Based Environmental Pollutants with the Coelomic Hemoglobin from Amphitrite ornata: A Molecular Basis for Toxicity.

description: Small molecule binding data for protein Dehaloperoxidase B (DHP B), Uniprot Q9NAV7
DOI: 10.7270/q2z89bb3
title: BindingDB Entry 50000141: Noncataleptogenic, centrally acting dopamine D-2 and serotonin 5-HT2 antagonists within a series of 3-substituted 1-(4-fluorophenyl)-1H-indoles.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2zc820z
title: BindingDB Entry 50007540: Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-1/gamma-2 subunit, Uniprot P14867, P18505, and P18507
DOI: 10.7270/q20k27fz
title: BindingDB Entry 7961: Baker-CSAR DIG-BP

description: Small molecule binding data for protein DIG-BP, Uniprot Q9HYR3
DOI: 10.7270/q2125rk7
title: BindingDB Entry 50000213: 1-(2-Aminoethyl)-3-methyl-8,9-dihydropyrano[3,2-e]indole: a rotationally restricted phenolic analog of the neurotransmitter serotonin and agonist selective for serotonin (5-HT2-type) receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1D, and Serotonin (5-HT) receptor, Uniprot P19327, P28221, and P28335
DOI: 10.7270/q2154g56
title: BindingDB Entry 50007580: Synthesis and glutathione S-transferase structure-affinity relationships of nonpeptide and peptidase-stable glutathione analogues.

description: Small molecule binding data for protein Glutathione S-transferase kappa 1, Uniprot Q9Y2Q3
DOI: 10.7270/q21c1vxj
title: BindingDB Entry 50005101: Vinyl sulfones as mechanism-based cysteine protease inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Cruzipain, Uniprot P07711, P07858, P25774, P25779, and P43235
DOI: 10.7270/q2251h9k
title: BindingDB Entry 50007564: Design, synthesis, and biological evaluation of a second generation of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines as potent and selective A2A adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, P30542, and P30543
DOI: 10.7270/q24b305p
title: BindingDB Entry 7960: Abbott Urokinase

description: Small molecule binding data for protein Urokinase
DOI: 10.7270/q24t6h9n
title: BindingDB Entry 50000209: N-(1-oxododecyl)-4 alpha,10-dimethyl-8-aza-trans-decal-3 beta-ol: a potent competitive inhibitor of 2,3-oxidosqualene cyclase.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48450
DOI: 10.7270/q24x56w6
title: BindingDB Entry 50007577: Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographical constraints in peptide design.

description: Small molecule binding data for protein SRC and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P06239, P07948, and P12931
DOI: 10.7270/q2542mmt
title: BindingDB Entry 50005096: Design and synthesis of potent retinoid X receptor selective ligands that induce apoptosis in leukemia cells.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Retinoid X receptor beta, and Retinoid X receptor gamma, Uniprot P19793, P28704, and P28705
DOI: 10.7270/q2833qwm
title: BindingDB Entry 7959: GSK TrmD

description: Small molecule binding data for protein TrmD, Uniprot P43912
DOI: 10.7270/q28k781c
title: BindingDB Entry 50000208: 7,8-Dihydro-8-ethyl-2-(3-noradamantyl)-4-propyl-1H-imidazo[2,1-i]purin-5(4H)-one: a potent and water-soluble adenosine A1 antagonist.

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P47745
DOI: 10.7270/q2cv4gm1
title: BindingDB Entry 7958: GSK SYK Kinase

description: Small molecule binding data for protein SYK Kinase
DOI: 10.7270/q2db80s4
title: BindingDB Entry 50000203: Renin inhibitors containing new P1-P1' dipeptide mimetics with heterocycles in P1'.

description: Small molecule binding data for protein Cathepsin D, Pepsin A, and Renin, Uniprot P00791, P00797, and P80209
DOI: 10.7270/q2db80zc
title: BindingDB Entry 50007573: A pyridoxine cyclic phosphate and its 6-azoaryl derivative selectively potentiate and antagonize activation of P2X1 receptors.

description: Small molecule binding data for protein P2X purinoceptor 1 and P2X2/P2X3 receptor, Uniprot P47824 and P49654
DOI: 10.7270/q2dn442z
title: BindingDB Entry 50005092: Aminoalkylindoles: structure-activity relationships of novel cannabinoid mimetics.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q2gm865x
title: BindingDB Entry 7966: GSK FactorXA-1

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2hd7tpz
title: BindingDB Entry 50005113: Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists.

description: Small molecule binding data for protein GABA, Uniprot Q9Z0U4
DOI: 10.7270/q2hm57br
title: BindingDB Entry 7957: CSAR LpxC

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase (LpxC), Uniprot P47205
DOI: 10.7270/q2jd4vtb
title: BindingDB Entry 50005088: Synthesis and biological evaluation of a series of substituted benzo[a]phenanthridines as agonists at D1 and D2 dopamine receptors.

description: Small molecule binding data for protein Adenylate cyclase type V, Uniprot Q04400
DOI: 10.7270/q2n58kdp
title: BindingDB Entry 50005112: Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists.

description: Small molecule binding data for protein GABA-B receptor 1/2, Uniprot O75899, O88871, Q9UBS5, and Q9Z0U4
DOI: 10.7270/q2ns0sv5
title: BindingDB Entry 50000194: Non-prostanoid thromboxane A2 receptor antagonists with a dibenzoxepin ring system. 1.

description: Small molecule binding data for protein Prostanoid TP receptor, Thromboxane A2 Synthase (P450 TxA2), and Thromboxane-A synthase, Uniprot P21731, P24557, and P49430
DOI: 10.7270/q2nv9hcp
title: BindingDB Entry 50007570: Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P28221, P28223, and Q9N2B7
DOI: 10.7270/q2s46qsd
title: BindingDB Entry 7955: Vertex ERK2

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2sj1jjf
title: BindingDB Entry 50000182: The discovery of (2S,3S)-cis-2-(diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1- azabicyclo[2.2.2]-octan-3-amine as a novel, nonpeptide substance P antagonisst.

description: Small molecule binding data for protein Neurokinin 1 receptor, TACR2, and TACR3, Uniprot P25103, P30098, and P51144
DOI: 10.7270/q2sn083z
title: BindingDB Entry 50007566: Development of orally active oxytocin antagonists: studies on 1-(1-[4-[1-(2-methyl-1-oxidopyridin-3-ylmethyl)piperidin-4-yloxy]-2- methoxybenzoyl]piperidin-4-yl)-1,4-dihydrobenz[d][1,3]oxazin-2-one (L-372,662) and related pyridines.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559 and P70536
DOI: 10.7270/q2vx0fc0
title: BindingDB Entry 7962: AbbVie-CSAR HSP90

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1, Uniprot P08238
DOI: 10.7270/q2w9584s
title: BindingDB Entry 50000215: Prodrugs of nitroxyl as inhibitors of aldehyde dehydrogenase.

description: Small molecule binding data for protein Aldehyde dehydrogenase 1A1, Uniprot P51647
DOI: 10.7270/q2wq02th
title: BindingDB Entry 50005103: (Aryloxy)methylsilane derivatives as new cholesterol biosynthesis inhibitors: synthesis and hypocholesterolemic activity of a new class of squalene epoxidase inhibitors.

description: Small molecule binding data for protein Squalene monooxygenase, Uniprot Q14534
DOI: 10.7270/q2ws8s4z
title: BindingDB Entry 7954: Abbott CHK1 Kinase

description: Small molecule binding data for protein CHK1_Kinase
DOI: 10.7270/q2x9297q
title: BindingDB Entry 50000178: Synthesis and biological evaluation of N alpha-(5-deaza-5,6,7,8-tetrahydropteroyl)-L-ornithine.

description: Small molecule binding data for protein Dihydrofolate reductase, Folylpoly-gamma-glutamate synthetase, GAR transformylase, Glycinamide ribonucleotide formyltransferase (GARFTase), and Thymidylate synthase, Uniprot P00374, P04818, P22102, Q05932, and Q64737
DOI: 10.7270/q2xd10t8
title: BindingDB Entry 50007565: Substituted naphthofurans as hallucinogenic phenethylamine-ergoline hybrid molecules with unexpected muscarinic antagonist activity.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin (5-HT) receptor, and Serotonin receptor (2b and 2c), Uniprot P14842, P19327, P28223, P28335, and P41595
DOI: 10.7270/q2028qg9
title: BindingDB Entry 50000238: Investigation of conformational specificity at GPIIb/IIIa: evaluation of conformationally constrained RGD peptides.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2057f28
title: BindingDB Entry 50007599: Design of a new class of orally active fibrinogen receptor antagonists.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q20g3j6w
title: BindingDB Entry 50005124: Alpha- and beta-adrenoceptors: from the gene to the clinic. 1. Molecular biology and adrenoceptor subclassification.

description: Small molecule binding data for protein Adrenergic alpha1B, Adrenergic receptor alpha, Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Cerebral cortex alpha adrenergic receptor, and adrenergic Alpha2, Uniprot P08913, P15823, P18089, P18130, P18825, P18871, P22909, P23944, P25100, P35348, P35368, P43140, Q28838, and Q4W594
DOI: 10.7270/q23b5z1x
title: BindingDB Entry 7969: Synthesis, crystal structure determination, biological screening and docking studies of N1-substituted derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q23t9g4t
title: BindingDB Entry 50000233: Imidazole-5-acrylic acids: potent nonpeptide angiotensin II receptor antagonists designed using a novel peptide pharmacophore model.

description: Small molecule binding data for protein Angiotensin II AT1B, Uniprot P29089
DOI: 10.7270/q23x85s8
title: BindingDB Entry 50007598: Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q24748wr
title: BindingDB Entry 50005118: Conformational effects on retinoid receptor selectivity. 2. Effects of retinoid bridging group on retinoid X receptor activity and selectivity.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Retinoid X receptor gamma/retinoic acid receptor alpha, and Retinoid receptor, Uniprot P10276, P19793, P28702, and P48443
DOI: 10.7270/q2736pr7
title: BindingDB Entry 7968: Design, Synthesis, and Experimental Validation of Peptide Ligands Targeting Mycobacterium tuberculosis σ Factors.

description: Small molecule binding data for protein σB-DNA and RNA polymerase sigma factor SigB (σB), Uniprot P9WGI5
DOI: 10.7270/q27m06vp
title: BindingDB Entry 50000231: 3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 9. The synthesis and biological evaluation of novel simvastatin analogs.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Uniprot P04035
DOI: 10.7270/q27p8xhm
title: BindingDB Entry 50007597: Substituted halogenated arylsulfonamides: a new class of sigma receptor binding tumor imaging agents.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q27w6b79
title: BindingDB Entry 50005117: The role of water molecules in the structure-based design of (5-hydroxynorvaline)-2-cyclosporin: synthesis, biological activity, and crystallographic analysis with cyclophilin A.

description: Small molecule binding data for protein Cyclophilin A and Interleukin-2, Uniprot P04351 and P62937
DOI: 10.7270/q28k7872
title: BindingDB Entry 50007576: Benzylimidazolines as h5-HT1B/1D serotonin receptor ligands: a structure-affinity investigation.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D, Uniprot P28221 and P28222
DOI: 10.7270/q29w0dbt
title: BindingDB Entry 7975: Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use

description: Small molecule binding data for protein Serine/threonine-protein kinase pim-1, Uniprot P11309
DOI: 10.7270/q2bp01v7
title: BindingDB Entry 50005147: Stereoisomers of N-[1-hydroxy-(2-phenylethyl)-3-methyl-4-piperidyl]- N-phenylpropanamide: synthesis, stereochemistry, analgesic activity, and opioid receptor binding characteristics.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P32300 and P42866
DOI: 10.7270/q2bv7fgn
title: BindingDB Entry 7967: GSK FactorXA-2

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2cc0zmg
title: BindingDB Entry 50000229: Analogs of Ac-CCK-7 incorporating dipeptide mimics in place of Met28-Gly29.

description: Small molecule binding data for protein Cholecystokinin B receptor and Cholecystokinin receptor, Uniprot P30551 and P79266
DOI: 10.7270/q2cc0zt5
title: BindingDB Entry 50007596: 5-Fluoro-2-methyl-N-[4-(5H-pyrrolo[2,1-c]-[1, 4]benzodiazepin-10(11H)-ylcarbonyl)-3-chlorophenyl]benzamide (VPA-985): an orally active arginine vasopressin antagonist with selectivity for V2 receptors.

description: Small molecule binding data for protein AVPR1A, Vasopressin V1a receptor (V1a), Vasopressin V2 Receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P30560, P37288, and Q00788
DOI: 10.7270/q2cn72x5
title: BindingDB Entry 50005115: Design of potent non-thiourea H3-receptor histamine antagonists.

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9QYN8
DOI: 10.7270/q2gf0sj4
title: BindingDB Entry 50005138: Computer-aided design and synthesis of 5-substituted tryptamines and their pharmacology at the 5-HT1D receptor: discovery of compounds with potential anti-migraine properties.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, DOPAMINE, and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P08908, P18901, P28221, P28222, and P61169
DOI: 10.7270/q2h41qcn
title: BindingDB Entry 50000224: Discovery of a novel class of orally active, non-peptide angiotensin II antagonists.

description: Small molecule binding data for protein Angiotensin II AT1B and Angiotensin II type 1a (AT-1a) receptor, Uniprot P29089 and P34976
DOI: 10.7270/q2h41qjw
title: BindingDB Entry 50007591: Nonsymmetric P2/P2' cyclic urea HIV protease inhibitors. Structure-activity relationship, bioavailability, and resistance profile of monoindazole-substituted P2 analogues.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2j38rg1
title: BindingDB Entry 50000195: Non-prostanoid thromboxane A2 receptor antagonists with a dibenzoxepin ring system. 2.

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2j38rn8
title: BindingDB Entry 50007572: Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: identification of novel inhibitors of matrix metalloproteinases.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08254, P09237, and P14780
DOI: 10.7270/q2m61j99
title: BindingDB Entry 50005132: The squalestatins: synthesis and biological activity of some C3-modified analogues; replacement of a carboxylic acid or methyl ester with an isoelectronic heterocyclic functionality.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2mc8xwv
title: BindingDB Entry 7964: Drug Design Data Resource Grand Challenge 2 Dataset: FXR - Farnesoid X Receptor

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2mw2g2m
title: BindingDB Entry 50000222: Conformational analysis of the aromatase inhibitor 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione (rogletimide) and discovery of potent 5-alkyl derivatives.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2mw2g7v
title: BindingDB Entry 50007590: Inhibitors of acyl-CoA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N-(heteroaryl-substituted benzyl)-N'-arylureas.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q2q52nh6
title: BindingDB Entry 7972: Ellagitannin and flavonoid constituents from Agrimonia pilosa Ledeb. with their protein tyrosine phosphatase and acetylcholinesterase inhibitory activities

description: Small molecule binding data for protein Acetylcholinesterase and Protein-tyrosine phosphatase 1B, Uniprot P18031 and P22303
DOI: 10.7270/q2qn65qf
title: BindingDB Entry 50000242: 6-Hydroxy-3-n-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine and analogs: new centrally acting 5-HT1A receptor agonists.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P19327 and P61169
DOI: 10.7270/q2qz291q
title: BindingDB Entry 50005129: Synthesis using a Fmoc-based strategy and biological activities of some reduced peptide bond pseudopeptide analogues of dynorphin A1.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2r49pn1
title: BindingDB Entry 7963: Genentech MAP4K4

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 4, Uniprot O95819
DOI: 10.7270/q2rj4hfh
title: BindingDB Entry 50000219: 5,10-Methylenetetrahydro-5-deazafolic acid and analogues: synthesis and biological activities.

description: Small molecule binding data for protein AICAR transformylase, Dihydrofolate reductase, GAR transformylase, Thymidylate Synthase (TS), and Thymidylate synthase, Uniprot P00374, P00381, P00469, P04818, P31939, and Q64737
DOI: 10.7270/q2rn36z5
title: BindingDB Entry 50007588: Synthesis and quantitative structure-activity relationships of N-(1-benzylpiperidin-4-yl)phenylacetamides and related analogues as potent and selective sigma1 receptor ligands.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2rx9b43
title: BindingDB Entry 50005107: A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2tx3d82
title: BindingDB Entry 7971: Synthesis, biological evaluation and molecular modeling study of new (1,2,4-triazole or 1,3,4-thiadiazole)-methylthio-derivatives of quinazolin-4(3H)-one as DHFR inhibitors

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2v9871v
title: BindingDB Entry 50000239: Design and synthesis of a C7 mimetic for the predicted gamma-turn conformation found in several constrained RGD antagonists.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2vq31r1
title: BindingDB Entry 50005126: Antidiabetic agents: a new class of reversible carnitine palmitoyltransferase I inhibitors.

description: Small molecule binding data for protein Carnitine palmitoyltransferase 1A, Uniprot P32198
DOI: 10.7270/q2wd3zph
title: BindingDB Entry 50007587: GPIIb/IIIa integrin antagonists with the new conformational restriction unit, trisubstituted beta-amino acid derivatives, and a substituted benzamidine structure.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2zp450s
title: BindingDB Entry 7970: PTP1B inhibitors from Selaginella tamariscina (Beauv.) Spring and their kinetic properties and molecular docking simulation

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q22f7m9v
title: BindingDB Entry 7977: Isoxazolo-quinazolines as modulators of protein kinase activity

description: Small molecule binding data for protein Dual specificity protein kinase TTK and Pancreatic endoplasmic reticulum kinase (PERK), Uniprot P33981 and Q9NZJ5