cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27d2vts
title: BindingDB Entry 50036812: Developing a dynamic pharmacophore model for HIV-1 integrase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q28916v8
title: BindingDB Entry 50039495: Assessment of partially deoxygenated deoxynojirimycin derivatives as glucosylceramide synthase inhibitors.

description: Small molecule binding data for protein Beta-glucosidase and Ceramide glucosyltransferase, Uniprot O88693 and Q9HCG7
DOI: 10.7270/q29024kf
title: BindingDB Entry 50037716: Inhibition of protein tyrosine phosphatase 1B by diterpenoids isolated from Acanthopanax koreanum.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q29887m5
title: BindingDB Entry 50035930: Novel benzamides as selective and potent gastrokinetic agents. 2. Synthesis and structure-activity relationships of 4-amino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2- morpholinyl]methyl] benzamide citrate (AS-4370) and related compounds.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2b858q3
title: BindingDB Entry 50035922: Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2b8591j
title: BindingDB Entry 50038607: Protein tyrosine phosphatase-1B inhibitory activity of isoprenylated flavonoids isolated from Erythrina mildbraedii.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2bz66kr
title: BindingDB Entry 50035064: Grignard-mediated synthesis and preliminary biological evaluation of novel 3-substituted farnesyl diphosphate analogues.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q2c53mjh
title: BindingDB Entry 50036811: 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine: a new heterocyclic system and a new lead compound for 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/q2c82b5x
title: BindingDB Entry 50038599: Unraveling the hidden catalytic activity of vertebrate class IIa histone deacetylases.

description: Small molecule binding data for protein Histone deacetylase 3/NCoR1 and Histone deacetylase 4, Uniprot O15379 and P56524
DOI: 10.7270/q2cz385c
title: BindingDB Entry 50039494: Bivalent Ligands for the Serotonin 5-HT3 Receptor.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P35563
DOI: 10.7270/q2dn45vp
title: BindingDB Entry 50037715: New HIV-1 reverse transcriptase inhibitors based on a tricyclic benzothiophene scaffold: synthesis, resolution, and inhibitory activity.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2g161ft
title: BindingDB Entry 50035921: Substrate analogue renin inhibitors containing replacements of histidine in P2 or isosteres of the amide bond between P3 and P2 sites.

description: Small molecule binding data for protein Cathepsin D, Pepsin A, and Renin, Uniprot P00791, P00797, and P80209
DOI: 10.7270/q2gq6z8n
title: BindingDB Entry 50035063: Anhydride modified cantharidin analogues: synthesis, inhibition of protein phosphatases 1 and 2A and anticancer activity.

description: Small molecule binding data for protein DNA topoisomerase II, Protein phosphatase 2C beta, and Serine-threonine protein phosphatase 2A regulatory subunit, Uniprot M9PDQ1, O75688, and P15348
DOI: 10.7270/q2gx4c8x
title: BindingDB Entry 50036810: Novel conformationally constrained tropane analogues by 6-endo-trig radical cyclization and stille coupling - switch of activity toward the serotonin and/or norepinephrine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P23977, P31645, P31652, and Q01959
DOI: 10.7270/q2hq40wp
title: BindingDB Entry 50039493: N-Methylated sst2 Selective Somatostatin Cyclic Peptide Analogue as a Potent Candidate for Treating Neurogenic Inflammation.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2jd4xk1
title: BindingDB Entry 50037714: Design of potent, orally available antagonists of the transient receptor potential vanilloid 1. Structure-activity relationships of 2-piperazin-1-yl-1H-benzimidazoles.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2ks6sff
title: BindingDB Entry 50038605: Grandisines C-G, indolizidine alkaloids from the Australian rainforest tree Elaeocarpus grandis.

description: Small molecule binding data for protein Delta-type opioid receptor, Uniprot P41143
DOI: 10.7270/q2mg7q0c
title: BindingDB Entry 50035062: Synthesis and biological evaluation of 1-azabicyclo-[3.2.1]octanes: new dopamine transporter inhibitors.

description: Small molecule binding data for protein Monoamine transporters; Norepininephrine & dopamine, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2mp53zs
title: BindingDB Entry 50036809: Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Angiotensin II AT2, Angiotensin II type 1a (AT-1a) receptor, DNA topoisomerase I (Topo I), EDNRA, LTB4R, and Prolyl endopeptidase, Uniprot P11387, P23687, P25101, P30543, P34976, P35351, and Q15722
DOI: 10.7270/q2ng4rm1
title: BindingDB Entry 50039492: Benzodiazepinone Derivatives as CRTH2 Antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q2pk0grb
title: BindingDB Entry 50035927: A 3-D model for 5-HT1A-receptor agonists based on stereoselective methyl-substituted and conformationally restricted analogues of 8-hydroxy-2-(dipropylamino)tetralin.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P19327
DOI: 10.7270/q2qj7j6m
title: BindingDB Entry 50038604: Sundaicumones A and B, polyprenylated acylphloroglucinol derivatives from Calophyllumsundaicum with weak activity against the glucocorticoid receptor.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2r49r9c
title: BindingDB Entry 50035061: Kinetic characterisation of ene-diol-based inhibitors of alpha-amylase.

description: Small molecule binding data for protein Pancreatic alpha-amylase, Uniprot P00689
DOI: 10.7270/q2rb759n
title: BindingDB Entry 50036808: Modeling of the inhibition of retroviral integrases by styrylquinoline derivatives.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase, Human immunodeficiency virus type 1 protease, and Rous sarcoma virus integrase, Uniprot P03354
DOI: 10.7270/q2rx9cwc
title: BindingDB Entry 50037720: Design, synthesis, and biological evaluation of hydroquinone derivatives of 17-amino-17-demethoxygeldanamycin as potent, water-soluble inhibitors of Hsp90.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90) and Heat shock protein 90 beta, Uniprot P07900, P08238, and P41148
DOI: 10.7270/q2s75hbr
title: BindingDB Entry 50039491: NO-SSRIs: Nitric Oxide Chimera Drugs Incorporating a Selective Serotonin Reuptake Inhibitor.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645
DOI: 10.7270/q2tb17hh
title: BindingDB Entry 50035926: Delineating the pharmacophoric elements of huperzine A: importance of the unsaturated three-carbon bridge to its AChE inhibitory activity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2v40vx6
title: BindingDB Entry 50036815: Novel inhibitors of nucleoside triphosphate diphosphohydrolases: chemical synthesis and biochemical and pharmacological characterizations.

description: Small molecule binding data for protein Ectonucleoside triphosphate diphosphohydrolase 1, Uniprot O18956
DOI: 10.7270/q2v98907
title: BindingDB Entry 50038603: Alkaloids from Eschscholzia californica and their capacity to inhibit binding of [3H]8-Hydroxy-2-(di-N-propylamino)tetralin to 5-HT1A receptors in Vitro.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Adenosine receptor A1, Alpha-2A adrenergic receptor, Beta-1 adrenergic receptor, Cannabinoid receptor 1, Cholecystokinin receptor, Cytochrome P450 3A, Histamine H1 receptor, Neurokinin 1 receptor, and Neurokinin 2 receptor, Uniprot P08588, P08684, P08908, P08913, P21452, P21554, P25103, P30542, P32239, P34969, and P35367
DOI: 10.7270/q2vx0h1b
title: BindingDB Entry 50035060: The design and synthesis of thrombin inhibitors: analogues of MD805 containing non-polar surrogates for arginine at the P1 position.

description: Small molecule binding data for protein Chymotrypsin, Coagulation factor X/antithrombin III, Kallikrein-1 (KLK1), Plasminogen, Thrombin and coagulation factor VII, and Trypsin-1, Uniprot P00734, P00742, P00747, P06870, P07477, and Q99895
DOI: 10.7270/q2w37x0j
title: BindingDB Entry 50036807: Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, GABA receptor alpha-5/beta-3/gamma-2 subunit, and GABA receptor alpha-6/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, P47869, and Q16445
DOI: 10.7270/q2wq04mn
title: BindingDB Entry 50037719: Hydrophobic effect and hydrogen bonds account for the improved activity of a complement inhibitor, compstatin.

description: Small molecule binding data for protein Complement C3, Uniprot P01024
DOI: 10.7270/q2xp75rg
title: BindingDB Entry 50037711: Inhibition of carbonic anhydrase-II by sulfamate and sulfamide groups: an investigation involving direct thermodynamic binding measurements.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2z3208p
title: BindingDB Entry 50035925: Examination of HIV-1 protease secondary structure specificity using conformationally constrained inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q20g3kz5
title: BindingDB Entry 50037726: 2-[(4-phenylpiperazin-1-yl)methyl]imidazo(di)azines as selective D4-ligands. Induction of penile erection by 2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine (PIP3EA), a potent and selective D4 partial agonist.

description: Small molecule binding data for protein 5-HT2, 5-hydroxytryptamine receptor 1A, Dopamine D1 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P35462, P50129, and P50130
DOI: 10.7270/q21v5fkf
title: BindingDB Entry 50035932: Configuration and preferential solid-state conformations of perindoprilat (S-9780). Comparison with the crystal structures of other ACE inhibitors and conclusions related to structure-activity relationships.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12822
DOI: 10.7270/q21v5fv1
title: BindingDB Entry 50038617: Latifolians A and B, novel JNK3 kinase inhibitors from the Papua New Guinean plant Gnetum latifolium.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Uniprot P53779
DOI: 10.7270/q22n52z2
title: BindingDB Entry 50036821: 6-N-Acyltriciribine analogues: structure-activity relationship between acyl carbon chain length and activity against HIV-1.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q22v2h18
title: BindingDB Entry 50038609: Bioactive constituents from Boswellia papyrifera.

description: Small molecule binding data for protein Endopeptidase prolyl oligopeptidase (PREP) and Xanthine oxidase, Uniprot P47989 and P48147
DOI: 10.7270/q23j3dzq
title: BindingDB Entry 50039504: Bicyclic benzofuran and indole-based salicylic acids as protein tyrosine phosphatase inhibitors.

description: Small molecule binding data for protein Protein Tyrosine Phosphatase PTPB, Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Secreted effector protein, and Tyrosine-protein phosphatase non-receptor type 22, Uniprot P18031, Q06124, and Q9Y2R2
DOI: 10.7270/q2474bpw
title: BindingDB Entry 50037725: New 2',6'-dimethyl-L-tyrosine (Dmt) opioid peptidomimetics based on the Aba-Gly scaffold. Development of unique mu-opioid receptor ligands.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41143, and P97266
DOI: 10.7270/q25m6695
title: BindingDB Entry 50035931: 4',5'-unsaturated 5'-halogenated nucleosides. Mechanism-based and competitive inhibitors of S-adenosyl-L-homocysteine hydrolase.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P10760 and P50247
DOI: 10.7270/q2668dqz
title: BindingDB Entry 50035073: Stereochemistry of halopyridyl and thiazolyl thiourea compounds is a major determinant of their potency as nonnucleoside inhibitors of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q26d5tnz
title: BindingDB Entry 50036820: Deoxy sugar analogues of triciribine: correlation of antiviral and antiproliferative activity with intracellular phosphorylation.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q27945pf
title: BindingDB Entry 50039503: Discovery, optimisation and in vivo evaluation of novel GPR119 agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, G-protein coupled receptor 119 (GPR119), Glucose-dependent insulinotropic receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, Q7TQP3, and Q8TDV5
DOI: 10.7270/q28053dm
title: BindingDB Entry 50037724: Synthesis and monoamine transporter binding properties of 2,3-cyclo analogues of 3beta-(4'-aminophenyl)-2beta-tropanemethanol.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q29c6z93
title: BindingDB Entry 50038615: Structure-activity relationship and classification of flavonoids as inhibitors of xanthine oxidase and superoxide scavengers.

description: Small molecule binding data for protein Xanthine oxidase, Uniprot P47989
DOI: 10.7270/q29z95fc
title: BindingDB Entry 50035072: Computational binding studies of human pp60c-src SH2 domain with a series of nonpeptide, phosphophenyl-containing ligands.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2b56kd4
title: BindingDB Entry 50036819: Synthesis of B-ring homologated estradiol analogues that modulate tubulin polymerization and microtubule stability.

description: Small molecule binding data for protein Tubulin alpha chain /beta chain, Uniprot Q6B856
DOI: 10.7270/q2c24xds
title: BindingDB Entry 50039502: Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dihydroorotate dehydrogenase, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q02127, and Q12809
DOI: 10.7270/q2cr5v4n
title: BindingDB Entry 50037723: Nanomolar inhibition of the enterobactin biosynthesis enzyme, EntE: synthesis, substituent effects, and additivity.

description: Small molecule binding data for protein Enterobactin synthetase component E, Uniprot P10378
DOI: 10.7270/q2f1909f
title: BindingDB Entry 50035929: Synthesis and biological activity of methotrexate analogues with two acid groups and a hydrophobic aromatic ring in the side chain.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374 and P00375
DOI: 10.7270/q2f190nx
title: BindingDB Entry 50038614: Two new isoflavones from Ceiba pentandra and their effect on cyclooxygenase-catalyzed prostaglandin biosynthesis.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot O62664 and P79208
DOI: 10.7270/q2fq9x5q
title: BindingDB Entry 50035071: Phenyloxazoles and phenylthiazoles as benzamide bioisosteres: synthesis and dopamine receptor binding profiles.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, P35462, and Q95136
DOI: 10.7270/q2fx7b4j
title: BindingDB Entry 50036818: CCK peptides with combined features of hexa- and tetrapeptide CCK-A agonists.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30551 and P30553
DOI: 10.7270/q2g161qd
title: BindingDB Entry 50038606: Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275, P22303, and P81908
DOI: 10.7270/q2gq6zrx
title: BindingDB Entry 50039501: Potential Agents for Treating Cystic Fibrosis: Cyclic Tetrapeptides that Restore Trafficking and Activity of ¿F508-CFTR.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2hd7wg3
title: BindingDB Entry 50037722: 3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL and Tyrosine-protein kinase ABL1, Uniprot P00519 and P11274
DOI: 10.7270/q2ht2pw7
title: BindingDB Entry 50035936: N6-substituted adenosine receptor agonists: potential antihypertensive agents.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2js9r1g
title: BindingDB Entry 50035928: Molecular and crystal structures of MDL27,467A hydrochloride and quinapril hydrochloride, two ester derivatives of potent angiotensin converting enzyme inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2js9rbh
title: BindingDB Entry 50038613: Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot O62664 and P79208
DOI: 10.7270/q2kh0nwk
title: BindingDB Entry 50035070: Preparation and evaluation of 1,3-diaminocyclopentane-linked dihydropyrimidinone derivatives as selective alpha1a-receptor antagonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2kp82vv
title: BindingDB Entry 50036817: 17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity relationships, and molecular modeling of the Na(+),K(+)-ATPase receptor.

description: Small molecule binding data for protein Sodium/potassium-transporting ATPase alpha-1 chain, Uniprot P50997
DOI: 10.7270/q2m61m20
title: BindingDB Entry 50037729: Synthesis and structure-activity relationships of N-{3-[2-(4-alkoxyphenoxy)thiazol-5-yl]-1- methylprop-2-ynyl}carboxy derivatives as selective acetyl-CoA carboxylase 2 inhibitors.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763, P11497, and Q13085
DOI: 10.7270/q2mg7qgn
title: BindingDB Entry 50039500: Truncated (N)-Methanocarba Nucleosides as A(1) Adenosine Receptor Agonists and Partial Agonists: Overcoming Lack of a Recognition Element.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, and P30542
DOI: 10.7270/q2n58n5c
title: BindingDB Entry 50037721: Design of cyclic peptides with agonist activity at melanocortin receptor-4.

description: Small molecule binding data for protein Melanocortin receptor 4 and Melanocyte-stimulating hormone receptor, Uniprot P32245 and Q01726
DOI: 10.7270/q2nk3fmz
title: BindingDB Entry 50035935: A highly specific aldose reductase inhibitor, ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate, and its congeners.

description: Small molecule binding data for protein Aldehyde reductase, Aldose reductase, and Aldose reductase (AR), Uniprot P07943, P15121, P50578, and P51635
DOI: 10.7270/q2pg1sfc
title: BindingDB Entry 50036824: Aureobasidins: structure-activity relationships for the inhibition of the human MDR1 P-glycoprotein ABC-transporter.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2pk0h1b
title: BindingDB Entry 50038612: Indole alkaloids and other constituents of Rauwolfia serpentina.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q2q81dm9
title: BindingDB Entry 50035069: Synthesis and HIV-1 integrase inhibitory activities of caffeoylglucosides.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2qf8tjr
title: BindingDB Entry 50036816: Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Collagenase, Endothelin-converting enzyme 1 (ECE1), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-7 (MMP7), Neutral Endopeptidase (NEP), and Peptide deformylase, Uniprot P03956, P07861, P09237, P12821, P39900, P42892, and P45452
DOI: 10.7270/q2r78g6c
title: BindingDB Entry 50039499: The myo-1,2-Diaminocyclitol Scaffold Defines Potent Glucocerebrosidase Activators and Promising Pharmacological Chaperones for Gaucher Disease.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062