cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2db80tk
title: BindingDB Entry 50002105: 2,2-Difluoro-5-hexyne-1,4-diamine: a potent enzyme-activated inhibitor of ornithine decarboxylase.

description: Small molecule binding data for protein Diamine oxidase (DAO) and Ornithine decarboxylase, Uniprot P09057 and P19801
DOI: 10.7270/q2dj5dg0
title: BindingDB Entry 7621: Orvinol and thevinol derivatives useful in the treatment of depression

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P41145, and P41146
DOI: 10.7270/q2dz076k
title: BindingDB Entry 8309: Compounds act at multiple prostaglandin receptors giving a general anti-inflammatory response

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid DP receptor, Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34995, P35408, P43088, P43115, P43116, P43119, and Q13258
DOI: 10.7270/q2h9941w
title: BindingDB Entry 7628: Thienopyrimidinone derivatives as mGluR1 antagonists

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Uniprot Q13255
DOI: 10.7270/q2j38rjx
title: BindingDB Entry 50002093: Design and synthesis of somatostatin analogues with topographical properties that lead to highly potent and specific mu opioid receptor antagonists with greatly reduced binding at somatostatin receptors.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2k35snv
title: BindingDB Entry 50002041: Psychotropic agents: synthesis and antipsychotic activity of substituted beta-carbolines.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2nv9h7w
title: BindingDB Entry 50002089: Serotonergic properties of spiroxatrine enantiomers.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Serotonin (5-HT) receptor, and Serotonin 1B/1D receptor, Uniprot P19327, P28564, and P61169
DOI: 10.7270/q2nz86gz
title: BindingDB Entry 7619: Design and synthesis of new 2-anilinoquinolines bearing N-methylpicolinamide moiety as potential antiproliferative agents.

description: Small molecule binding data for protein B-RAF V600E and C-RAF, Uniprot P04049
DOI: 10.7270/q2pg1qms
title: BindingDB Entry 8307: Heterocyclic resorcinol derivatives, preparation of same and cosmetic uses thereof

description: Small molecule binding data for protein Tyrosinase, Uniprot Q00024
DOI: 10.7270/q2rr1x3x
title: BindingDB Entry 7626: Pyrazolo[3,4-c]pyridine compounds and methods of use

description: Small molecule binding data for protein Serine/threonine-protein kinase pim-1, Uniprot P11309
DOI: 10.7270/q2sj1jmb
title: BindingDB Entry 50002088: 2-Phenylpyrroles as conformationally restricted benzamide analogues. A new class of potential antipsychotics. 2.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2t72gbh
title: BindingDB Entry 8306: 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874 and Q9UGN5
DOI: 10.7270/q2wh2nt7
title: BindingDB Entry 7625: Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2x92985
title: BindingDB Entry 50002085: Substituted benzamides with conformationally restricted side chains. 2. Indolizidine derivatives as central dopamine receptor antagonists.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2z03727
title: BindingDB Entry 8305: Method for inhibiting Trypanosoma cruzi

description: Small molecule binding data for protein Tubulin, Uniprot Q27352
DOI: 10.7270/q2086443
title: BindingDB Entry 7632: 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta

description: Small molecule binding data for protein Casein kinase I delta/epsilon and Casein kinase I isoform delta, Uniprot P48730 and P49674
DOI: 10.7270/q2125rn4
title: BindingDB Entry 50002137: Synthesis, tubulin binding, antineoplastic evaluation, and structure-activity relationship of oncodazole analogues.

description: Small molecule binding data for protein Tubulin, Uniprot P02550
DOI: 10.7270/q21r6pfw
title: BindingDB Entry 8312: 6-substituted demethyl-estradiol derivatives as selective ER-β agonists

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2416vwg
title: BindingDB Entry 7631: Characterization of MymA protein as a flavin-containing monooxygenase and as a target of isoniazid.

description: Small molecule binding data for protein MymA, Uniprot P9WNF7
DOI: 10.7270/q24j0d1s
title: BindingDB Entry 8319: Design, synthesis and preliminary activity evaluation of novel 3-amino-2-hydroxyl-3-phenylpropanoic acid derivatives as aminopeptidase N/CD13 inhibitors.

description: Small molecule binding data for protein Aminopeptidase N and Gelatinase 2 (MMP-2), Uniprot P15145 and Q95JA4
DOI: 10.7270/q24t6hb3
title: BindingDB Entry 50002108: Synthesis and biological evaluation of a monocyclic, fully functional analogue of compactin.

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q25h7f62
title: BindingDB Entry 8311: Azabenzimidazole derivatives

description: Small molecule binding data for protein 5'-AMP-activated protein kinase Complex 1, Uniprot P54619, Q13131, and Q9Y478
DOI: 10.7270/q27s7mmw
title: BindingDB Entry 7630: PDE10a inhibitors for the treatment of type II diabetes

description: Small molecule binding data for protein Phosphodiesterase Type 10 (PDE10A) and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9QYJ6 and Q9Y233
DOI: 10.7270/q28914sj
title: BindingDB Entry 8318: 2-(2-indolyl-)-4(3H)-quinazolines derivates as new inhibitors of AChE: design, synthesis, biological evaluation and molecular modelling.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q28k782t
title: BindingDB Entry 50002107: Phenolic metabolites of clomiphene: [(E,Z)-2-[4-(1,2-diphenyl-2-chlorovinyl)phenoxy]ethyl]diethylamine. Preparation, electrophilicity, and effects in MCF 7 breast cancer cells.

description: Small molecule binding data for protein Anti-estrogen binding site (AEBS), Uniprot Q15125 and Q9UBM7
DOI: 10.7270/q29885xc
title: BindingDB Entry 8310: 2,4,7-substituted thieno[3,2-d]pyrimidine compounds as protein kinase inhibitors

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q2bk1b5b
title: BindingDB Entry 7637: Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2cc0znx
title: BindingDB Entry 50002173: Novel vasopressin analogues that help define a minimum effective antagonist pharmacophore.

description: Small molecule binding data for protein Vasopressin V2 receptor, Uniprot P32307
DOI: 10.7270/q2cj8cbm
title: BindingDB Entry 7629: Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas

description: Small molecule binding data for protein Adrenergic receptor beta and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot P07550 and P18090
DOI: 10.7270/q2d21whw
title: BindingDB Entry 8317: Inhibition of fatty acid synthase by ginkgolic acids from the leaves of Ginkgo biloba and their cytotoxic activity.

description: Small molecule binding data for protein Fatty acid synthase, Uniprot P12276
DOI: 10.7270/q2gb22wn
title: BindingDB Entry 7636: Alkyl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds

description: Small molecule binding data for protein Beta-secretase 1 (BACE1) and Beta-secretase 2 (BACE2), Uniprot Q9Y5Z0
DOI: 10.7270/q2h41qd3
title: BindingDB Entry 50002152: Preparation and biodistribution of 1-[2-(3-[125I]iodo-4-aminophenyl)ethyl]-4-[3-(trifluoromethyl) phenyl]piperazine and 1-[2-(3-[125I]iodo-4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl] piperazine.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908
DOI: 10.7270/q2hq3xtk
title: BindingDB Entry 8316: Tripeptides with non-code amino acids as potential serine proteases inhibitors.

description: Small molecule binding data for protein Plasminogen, Prothrombin, Trypsin-1, and Urokinase-type plasminogen activator, Uniprot P00734, P00747, P00749, and P07477
DOI: 10.7270/q2jq0zw2
title: BindingDB Entry 8308: Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Proto-oncogene c-Met, Uniprot P08581
DOI: 10.7270/q2m32tm0
title: BindingDB Entry 7635: Therapeutic pyrazolyl thienopyridines

description: Small molecule binding data for protein TGF-beta receptor type I, Uniprot P36897
DOI: 10.7270/q2mw2g4h
title: BindingDB Entry 50002150: Synthesis of gastrin antagonists, analogues of the C-terminal tetrapeptide of gastrin, by introduction of a beta-homo residue.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32239
DOI: 10.7270/q2n29vrt
title: BindingDB Entry 7627: Synthetic methods for spiro-oxindole compounds

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2ng4phv
title: BindingDB Entry 8315: Evaluation of a dithiocarbamate derivative as an inhibitor of human glutaredoxin-1.

description: Small molecule binding data for protein Glutaredoxin-1 (GRX-1), Uniprot P35754
DOI: 10.7270/q2qv3kbd
title: BindingDB Entry 7634: Fused tetra or penta-cyclic dihydrodiazepinocarbazolones as PARP inhibitors

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), Poly [ADP-ribose] polymerase 3 (PARP-3), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874, Q9H2K2, and Q9UGN5
DOI: 10.7270/q2rn36tc
title: BindingDB Entry 50002148: The 2-desamino and 2-desamino-2-methyl analogues of aminopterin do not inhibit dihydrofolate reductase but are potently toxic to tumor cells in culture.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2s75f7k
title: BindingDB Entry 8314: Inhibition of the alpha- and beta-carbonic anhydrases from the gastric pathogen Helycobacter pylori with anions.

description: Small molecule binding data for protein α-Carbonic anhydrase (αCA) and β-Carbonic anhydrase (βCA), Uniprot J0J440 and Q08IJ2
DOI: 10.7270/q2vh5mpv
title: BindingDB Entry 7633: Dihydropyrrolopyrimidine derivatives

description: Small molecule binding data for protein p110α/p85α and p110alpha-iSH2 p85alpha Complex, Uniprot P27986 and P42336
DOI: 10.7270/q2w9586p
title: BindingDB Entry 50002147: Quaternary salts of 2-[(hydroxyimino)methyl]imidazole. 3. Synthesis and evaluation of (alkenyloxy)-, (alkynyloxy)-, and (aralkyloxy)methyl quaternarized 2-[(hydroxyimino)methyl]-1-alkylimidazolium halides as reactivators and therapy for soman intoxication.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2x065zw
title: BindingDB Entry 8313: Inhibition of acetylpolyamine and spermine oxidases by the polyamine analogue chlorhexidine.

description: Small molecule binding data for protein Acetylpolyamine oxidase (APAO) and Spermine oxidase (SMO), Uniprot Q6QHF9 and Q9NWM0
DOI: 10.7270/q2028qj6
title: BindingDB Entry 50002190: Synthesis and evaluation of non-catechol D-1 and D-2 dopamine receptor agonists: benzimidazol-2-one, benzoxazol-2-one, and the highly potent benzothiazol-2-one 7-ethylamines.

description: Small molecule binding data for protein DOPAMINE and DRD2, Uniprot P18901 and P20288
DOI: 10.7270/q20r9n9h
title: BindingDB Entry 8320: Synthesis of α-oxycarbanilinophosphonates and their anticholinesterase activities: the most potent derivative is bound to the peripheral site of acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2319tp6
title: BindingDB Entry 7639: Compounds for the treatment of neurodegenerative diseases

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q23j3bvj
title: BindingDB Entry 8327: Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8), Uniprot Q1A7N1
DOI: 10.7270/q23t9g6q
title: BindingDB Entry 50002185: Potent antagonists of vasopressin antidiuretic activity that lack the beta,beta-cyclopentamethylene-beta-mercaptopropionic acid substitution at position 1.

description: Small molecule binding data for protein Vasopressin V2 receptor, Uniprot P32307
DOI: 10.7270/q25t3j97
title: BindingDB Entry 7646: Oligomer-opioid agonist conjugates

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q26m35v3
title: BindingDB Entry 50002242: Synthesis and pharmacological characterization of 5-(2-dodecylphenyl)-4,6-dithianonanedioic acid and 5-[2-(8-phenyloctyl)phenyl]-4,6-dithianonanedioic acid: prototypes of a novel class of leukotriene antagonists.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q26t0kfm
title: BindingDB Entry 7638: Inhibitors of Furin and other pro-protein convertases

description: Small molecule binding data for protein Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA, Uniprot P09958
DOI: 10.7270/q27943k8
title: BindingDB Entry 8326: Dihydropyridone p1 as factor XIa inhibitors

description: Small molecule binding data for protein Coagulation factor IX and X and Plasma kallikrein (KLKB1), Uniprot P00740 and P03952
DOI: 10.7270/q27m06w4
title: BindingDB Entry 50002183: Potent vasopressin antagonists lacking the proline residue at position 7.

description: Small molecule binding data for protein Vasopressin V2 receptor, Uniprot P32307
DOI: 10.7270/q29k492d
title: BindingDB Entry 7645: Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).

description: Small molecule binding data for protein Acyl-protein thioesterase 1, Acyl-protein thioesterase 1 (APT1 I75L), Acyl-protein thioesterase 1 (APT1 I75L/S82A), Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P), Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P/R149H/A150R/S151A), Acyl-protein thioesterase 1 (APT1 L176M), Acyl-protein thioesterase 1 (APT1 Q83P), Acyl-protein thioesterase 2, Acyl-protein thioesterase 2 (APT2 H152R), Acyl-protein thioesterase 2 (APT2 L78I), Acyl-protein thioesterase 2 (APT2 L78I/A85S), Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q), Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q/H152R/R153A/A154S), Acyl-protein thioesterase 2 (APT2 M178L), Acyl-protein thioesterase 2 (APT2 P86Q), and Acyl-protein thioesterase 2 (APT2 S122A), Uniprot O75608 and O95372
DOI: 10.7270/q2bc3xj0
title: BindingDB Entry 50002224: Orally active and potent inhibitors of gamma-aminobutyric acid uptake.

description: Small molecule binding data for protein Norepinephrine Monoamine transporters
DOI: 10.7270/q2c24vb2
title: BindingDB Entry 8325: Inhibitor compounds

description: Small molecule binding data for protein Dual specificity protein kinase TTK, Uniprot P33981
DOI: 10.7270/q2g44p95
title: BindingDB Entry 50002208: Synthesis and in vitro activity of various derivatives of a novel thromboxane receptor antagonist, (+/-)-(5Z)-7-[3-endo-[(phenylsulfonyl)amino]bicyclo[2.2.1] hept-2-exo-yl]heptenoic acid.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2gt5m2g
title: BindingDB Entry 8324: Autotaxin inhibitors

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2k35sh2
title: BindingDB Entry 7643: A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.

description: Small molecule binding data for protein Mdm2
DOI: 10.7270/q2kw5f21
title: BindingDB Entry 50002204: Preparation of 7-oxaaporphine derivatives and evaluation of their dopaminergic activity.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2mg7nfc
title: BindingDB Entry 8323: 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors

description: Small molecule binding data for protein Egl nine homolog 1 and Hypoxia-inducible factor prolyl hydroxylase 1, Uniprot Q96KS0 and Q9GZT9
DOI: 10.7270/q2pv6j7g
title: BindingDB Entry 7642: Orally available viridiofungin derivative possessing anti-HCV activity

description: Small molecule binding data for protein Cytochrome P450 2C9 and Cytochrome P450 3A, Uniprot P08684 and P11712
DOI: 10.7270/q2qn65sb
title: BindingDB Entry 50002197: N,N-di-n-propylserotonin: binding at serotonin binding sites and a comparison with 8-hydroxy-2-(di-n-propylamino)tetralin.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Serotonin 1B/1D receptor, Uniprot P19327 and P28564
DOI: 10.7270/q2r78d4n
title: BindingDB Entry 8322: Dimeric compounds

description: Small molecule binding data for protein XIAP protein BIR2 and XIAP protein BIR3
DOI: 10.7270/q2tm78zs
title: BindingDB Entry 7641: 4-alkoxy-N-(2-hydroxycarbamoyl-2-piperidinyl-ethyl)-benzamide compounds as selective TACE-inhibitors for the treatment of inflammatory diseases

description: Small molecule binding data for protein ADAM17, Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot O14672, P03956, P08254, P14780, P78536, and Q13443
DOI: 10.7270/q2v123pp
title: BindingDB Entry 8329: Kinase modulators for the treatment of cancer

description: Small molecule binding data for protein B-RAF V600E, Epidermal growth factor receptor, Epidermal growth factor receptor (EGFR)(G719C), Epidermal growth factor receptor (EGFR)(G719S), Epidermal growth factor receptor (EGFR)(L861Q), Epidermal growth factor receptor (EGFR)(d747-749)(A750P), Epidermal growth factor receptor (EGFR)(d747-752)(P753S), Epidermal growth factor receptor (EGFR)(d752-759), Epidermal growth factor receptor (T790M), Epidermal growth factor receptor(L858R), Epidermal growth factor receptor(L858R, T790M), Misshapen-like kinase 1 (MINK1), RAF serine/threonine protein kinase, Serine/threonine-protein kinase RIPK2, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase BRK, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O43353, P00533, P12931, P15056, P35968, Q07912, and Q13882
DOI: 10.7270/q2vd6xfs
title: BindingDB Entry 50002196: Design, synthesis, and biological activity of a peptide mimic of vasopressin.

description: Small molecule binding data for protein Vasopressin V2 receptor, Uniprot P32307
DOI: 10.7270/q2w094th
title: BindingDB Entry 8321: 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections

description: Small molecule binding data for protein RNA polymerase (NS5B) and RNA-directed RNA polymerase (NS5B) (S282T)
DOI: 10.7270/q2z89b7r
title: BindingDB Entry 7640: Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Uniprot P10635
DOI: 10.7270/q2154fvr
title: BindingDB Entry 7655: Triazolopyridinone PDE10 inhibitors

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q21z43dq
title: BindingDB Entry 50002334: Opioid agonist and antagonist bivalent ligands. The relationship between spacer length and selectivity at multiple opioid receptors.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2222sm8
title: BindingDB Entry 7647: Potent poxvirus inhibitor

description: Small molecule binding data for protein vaccinia virus D4/A20, Uniprot P20536
DOI: 10.7270/q22j69rm
title: BindingDB Entry 8335: Methods for reducing uric acid levels using barbiturate derivatives

description: Small molecule binding data for protein Uric Acid Transporter 1 (URAT1) and Xanthine oxidase, Uniprot P47989 and Q96S37
DOI: 10.7270/q22z14hn
title: BindingDB Entry 50002254: Functionalized congeners of 1,3-dialkylxanthines: preparation of analogues with high affinity for adenosine receptors.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q24t6h69
title: BindingDB Entry 7654: Substituted azaindazole compounds

description: Small molecule binding data for protein Cytochrome P450 17A1, Uniprot P05093
DOI: 10.7270/q25q4v25
title: BindingDB Entry 50002325: Analogues of 1,3-dipropyl-8-phenylxanthine: enhancement of selectivity at A1-adenosine receptors by aryl substituents.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q26972gb
title: BindingDB Entry 8334: Acid ceramidase inhibitors and their use as medicaments

description: Small molecule binding data for protein Acid ceramidase (AC), Uniprot Q13510 and Q6P7S1
DOI: 10.7270/q29c6wf2
title: BindingDB Entry 50002324: Anticonvulsant activity of piperidinol and (dialkylamino)alkanol esters.

description: Small molecule binding data for protein Sodium channel protein type I I alpha subunit, Uniprot P35498, Q99250, and Q9NY46
DOI: 10.7270/q2b27t6p
title: BindingDB Entry 8333: HCV protease inhibitors and uses thereof

description: Small molecule binding data for protein Protease NS3/Non-structural protein 4A (NS3/NS4A), Protease NS3/Non-structural protein 4A (NS3/NS4A) (A156S), Protease NS3/Non-structural protein 4A (NS3/NS4A) (A156T), Protease NS3/Non-structural protein 4A (NS3/NS4A) (C159S), Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168A), and Protease NS3/Non-structural protein 4A (NS3/NS4A) (R155K), Uniprot Q91RS4
DOI: 10.7270/q2db80nb
title: BindingDB Entry 7652: 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives

description: Small molecule binding data for protein CXCR3A / G protein (Galpha(16)), Uniprot P30679 and P49682