cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2b56jjh
title: BindingDB Entry 50026983: Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, SRC, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P06239, P07333, P10721, P12931, P16234, P35968, and Q02763
DOI: 10.7270/q2bc3z41
title: BindingDB Entry 50017139: Small molecule inhibitors of dynamin I GTPase activity: development of dimeric tyrphostins.

description: Small molecule binding data for protein Dynamin-1, Uniprot Q05193
DOI: 10.7270/q2db81kv
title: BindingDB Entry 50022384: Pyrogallol and its analogs can antagonize bacterial quorum sensing in Vibrio harveyi.

description: Small molecule binding data for protein Autoinducer 2-binding periplasmic protein luxP, Uniprot P54300
DOI: 10.7270/q2f18zcj
title: BindingDB Entry 50019311: Identification of a potent and stable antiproliferative agent by the prodrug formation of a thiolate histone deacetylase inhibitor.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2f47nrd
title: BindingDB Entry 50017158: Designing rapid onset selective serotonin re-uptake inhibitors. Part 1: Structure-activity relationships of substituted (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthaleneamine.

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/q2g44pvb
title: BindingDB Entry 50017136: Syntheses, biological evaluation, and molecular modeling of 18F-labeled 4-anilidopiperidines as mu-opioid receptor imaging agents.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2j38s96
title: BindingDB Entry 50022383: Novel non-peptidic and small-sized BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2jq10p5
title: BindingDB Entry 50019304: Discovery of a potent, selective, and orally active human epidermal growth factor receptor-2 sheddase inhibitor for the treatment of cancer.

description: Small molecule binding data for protein Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot O14672, P03956, P04626, P08253, P08254, and P14780
DOI: 10.7270/q2jq10tz
title: BindingDB Entry 50026999: 3,4-Dihydro-2H-1,4-benzoxazine derivatives combining thrombin inhibitory and glycoprotein IIb/IIIa receptor antagonistic activity as a novel class of antithrombotic compounds with dual function.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Fibrinogen receptor subunit alpha IIb beta 3, and Prothrombin, Uniprot P00734, P00742, and P08514
DOI: 10.7270/q2jw8dgt
title: BindingDB Entry 50017150: Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor and Voltage-gated potassium channel, Uniprot P25103 and Q12809
DOI: 10.7270/q2ng4q84
title: BindingDB Entry 50019346: Pharmacophore-based design of sphingosine 1-phosphate-3 receptor antagonists that include a 3,4-dialkoxybenzophenone scaffold.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2nv9j1m
title: BindingDB Entry 50022373: 2-(1H-Imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chain variants of the IGF-1R inhibitor BMS-536924.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2pg1rc2
title: BindingDB Entry 50019299: 1-Arylpiperazinyl-4-cyclohexylamine derived isoindole-1,3-diones as potent and selective alpha-1a/1d adrenergic receptor ligands.

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/q2pg1rj9
title: BindingDB Entry 50026997: Synthesis and biological evaluation of 2-amino-3-(4-chlorobenzoyl)-4-[N-(substituted) piperazin-1-yl]thiophenes as potent allosteric enhancers of the A1 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099 and P30542
DOI: 10.7270/q2pn956j
title: BindingDB Entry 50017148: Synthesis of 2,5-thiazole butanoic acids as potent and selective alpha(v)beta3 integrin receptor antagonists with improved oral pharmacokinetic properties.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-6/Vitronectin receptor alpha, Uniprot P05106, P06756, P08514, and P18564
DOI: 10.7270/q2t72h3s
title: BindingDB Entry 50019297: Synthesis and in vitro binding studies of substituted piperidine naphthamides. Part I: Influence of the substitution on the basic nitrogen and the position of the amide on the affinity for D2L, D4.2, and 5-HT2A receptors.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin (5-HT) receptor, Uniprot P14416, P14842, and P21917
DOI: 10.7270/q2t72h81
title: BindingDB Entry 50026991: Synthesis and pharmacological evaluation of bis-3-(3,4-dichlorophenyl)acrylamide derivatives as glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Uniprot P06737
DOI: 10.7270/q2tb16gn
title: BindingDB Entry 50017143: On the use of nonfluorescent dye labeled ligands in FRET-based receptor binding studies.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2wd409c
title: BindingDB Entry 50022487: Design and synthesis of 3-arylpyrrolidine-2-carboxamide derivatives as melanocortin-4 receptor ligands.

description: Small molecule binding data for protein Melanocortin receptor 4, Uniprot P32245
DOI: 10.7270/q2x92b1f
title: BindingDB Entry 50022360: Arylsulfonamide CB2 receptor agonists: SAR and optimization of CB2 selectivity.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2z0380r
title: BindingDB Entry 50026989: Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Amine oxidase [flavin-containing] B, Uniprot P27338 and P30543
DOI: 10.7270/q2z31z60
title: BindingDB Entry 50017142: Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach.

description: Small molecule binding data for protein DNA-dependent protein kinase, Uniprot P78527
DOI: 10.7270/q2057fnw
title: BindingDB Entry 50022549: The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor.

description: Small molecule binding data for protein MAP kinase p38, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 14, SRC, and p38 delta/gamma, Uniprot O15264, P06239, P53778, Q15759, and Q16539
DOI: 10.7270/q20r9p2s
title: BindingDB Entry 50019360: N-Benzyl-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amines as selective dual serotonin/noradrenaline reuptake inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P10635, P23975, P31645, Q01959, and Q12809
DOI: 10.7270/q21r6qbz
title: BindingDB Entry 50027010: Discovery of novel series of benzoic acid derivatives containing biphenyl ether moiety as potent and selective human beta(3)-adrenergic receptor agonists: Part IV.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-3 adrenergic receptor, Uniprot O02662, P08588, and P13945
DOI: 10.7270/q23t9h0f
title: BindingDB Entry 50022545: Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), and Voltage-gated potassium channel, Uniprot P00533, P04626, and Q12809
DOI: 10.7270/q24j0dsn
title: BindingDB Entry 50019355: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8.

description: Small molecule binding data for protein C-C chemokine receptor type 8, Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P51685, and Q12809
DOI: 10.7270/q24j0dzw
title: BindingDB Entry 50027018: Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437, P23219, P35354, and Q05769
DOI: 10.7270/q24m943g
title: BindingDB Entry 50017177: First structure-activity relationship study on dopamine D3 receptor agents with N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamide structure.

description: Small molecule binding data for protein Dopamine receptor, Uniprot P35462
DOI: 10.7270/q25m659r
title: BindingDB Entry 50017161: In silico fragment-based discovery of DPP-IV S1 pocket binders.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q27m07pv
title: BindingDB Entry 50022534: Design and synthesis of dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazole oximes as potent dual inhibitors of TIE-2 and VEGF-R2 receptor tyrosine kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin receptor, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, P00533, P06213, P12931, P17948, P35916, P35968, and Q02763
DOI: 10.7270/q28915jt
title: BindingDB Entry 50019351: Synthesis and characterization of potent and selective mu-opioid receptor antagonists, [Dmt(1), D-2-Nal(4)]endomorphin-1 (Antanal-1) and [Dmt(1), D-2-Nal(4)]endomorphin-2 (Antanal-2).

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P35372, P41143, and P97266
DOI: 10.7270/q28915pm
title: BindingDB Entry 50027017: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Glycine transporter 1, Glycine transporter 2, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, P48067, Q12809, and Q9Y345
DOI: 10.7270/q28c9vtd
title: BindingDB Entry 50017175: Studies toward the discovery of the next generation of antidepressants. Part 5: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives with dual 5-HT1A receptor and serotonin transporter affinity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter, Uniprot P08908 and P31652
DOI: 10.7270/q29c6x13
title: BindingDB Entry 50017160: Sarcosine based indandione hGlyT1 inhibitors.

description: Small molecule binding data for protein Glycine transporter 1, Uniprot P48067
DOI: 10.7270/q2cc10dk
title: BindingDB Entry 50022519: Synthesis and structure-activity relationships of new disubstituted phenyl-containing 3,4-diamino-3-cyclobutene-1,2-diones as CXCR2 receptor antagonists.

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR2, Uniprot P25025
DOI: 10.7270/q2cz370q
title: BindingDB Entry 50027016: Benzimidazole-substituted (3-phenoxypropyl)amines as histamine H3 receptor ligands.

description: Small molecule binding data for protein Histamine H3 receptor, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot P58406, Q12809, and Q9Y5N1
DOI: 10.7270/q2d21x9m
title: BindingDB Entry 50019350: Structure-selectivity investigations of D2-like receptor ligands by CoMFA and CoMSIA guiding the discovery of D3 selective PET radioligands.

description: Small molecule binding data for protein 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, and P50130
DOI: 10.7270/q2d50mjp
title: BindingDB Entry 50017173: Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2dz0843
title: BindingDB Entry 50027004: Discovery of pyrazolopyrimidines as the first class of allosteric agonists for the high affinity nicotinic acid receptor GPR109A.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q2h41r5c
title: BindingDB Entry 50022502: Benzothiazole based inhibitors of p38alpha MAP kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2hq3zqn
title: BindingDB Entry 50027014: Trace amine-associated receptor 1 (TAAR1) is activated by amiodarone metabolites.

description: Small molecule binding data for protein Trace amine-associated receptor 1 (TAAR1), Uniprot Q923Y9
DOI: 10.7270/q2ht2p0k
title: BindingDB Entry 50019347: Metastin (KiSS-1) mimetics identified from peptide structure-activity relationship-derived pharmacophores and directed small molecule database screening.

description: Small molecule binding data for protein G-protein Coupled Receptor 54, Uniprot Q969F8
DOI: 10.7270/q2hx1c83
title: BindingDB Entry 50017170: Design, synthesis, and structure-activity relationship of novel thiophene derivatives for beta-amyloid plaque imaging.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2mw2gwc
title: BindingDB Entry 50022501: Synthesis of all stereoisomers of 3-hydroxypipecolic acid and 3-hydroxy-4,5-dehydropipecolic acid and their evaluation as glycosidase inhibitors.

description: Small molecule binding data for protein Endo-beta-N-acetylglucosaminidase, Uniprot Q8NFI3
DOI: 10.7270/q2ng4qdx
title: BindingDB Entry 50027013: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists.

description: Small molecule binding data for protein B1 bradykinin receptor, BDKRB1, and Bradykinin B1 receptor, Uniprot P46663, P97583, and Q3BCU0
DOI: 10.7270/q2np240t
title: BindingDB Entry 50017168: Hetaryl imidazoles: a novel dual inhibitors of VEGF receptors I and II.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P17948, and P35968
DOI: 10.7270/q2rn37m3
title: BindingDB Entry 50022493: Carbonic anhydrase inhibitors: the very weak inhibitors dithiothreitol, beta-mercaptoethanol, tris(carboxyethyl)phosphine and threitol interfere with the binding of sulfonamides to isozymes II and IX.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Carbonic anhydrase 9, Uniprot P00918 and Q16790
DOI: 10.7270/q2s75fz0
title: BindingDB Entry 50019327: Design, synthesis, and biological evaluation of substituted 2-alkylthio-1,5-diarylimidazoles as selective COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and Q05769
DOI: 10.7270/q2s75g4n
title: BindingDB Entry 50027012: Monoacylglycerol lipase regulates 2-arachidonoylglycerol action and arachidonic acid levels.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor 1 (CB1R), and Monoglyceride Lipase (MGL), Uniprot O08914, O35678, and P47746
DOI: 10.7270/q2sf2vqr
title: BindingDB Entry 50017166: Naphthofuroquinone derivatives: inhibition of receptor tyrosine kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P09619, P11362, and P35968
DOI: 10.7270/q2vd6z62
title: BindingDB Entry 50022603: Synthesis of N-pyrimidinyl-2-phenoxyacetamides as adenosine A2A receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P10635, P29274, P30542, P30543, and Q12809
DOI: 10.7270/q2w095ks
title: BindingDB Entry 50019363: Phenoxy thiazole derivatives as potent and selective acetyl-CoA carboxylase 2 inhibitors: Modulation of isozyme selectivity by incorporation of phenyl ring substituents.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763 and Q13085
DOI: 10.7270/q2x066pq
title: BindingDB Entry 50019321: Probing binding requirements of NAD kinase with modified substrate (NAD) analogues.

description: Small molecule binding data for protein NAD kinase, Uniprot O95544
DOI: 10.7270/q2x066vz
title: BindingDB Entry 50027011: New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37238
DOI: 10.7270/q2x34x2m
title: BindingDB Entry 50017165: Expedited SAR study of high-affinity ligands to the alpha(2)delta subunit of voltage-gated calcium channels: Generation of a focused library using a solution-phase Sn2Ar coupling methodology.

description: Small molecule binding data for protein Voltage-gated calcium channel subunit alpha-2/delta, Uniprot P54289
DOI: 10.7270/q20001p0
title: BindingDB Entry 50017187: cycloSal-PMEA and cycloAmb-PMEA: potentially new phosphonate prodrugs based on the cycloSal-pronucleotide approach.

description: Small molecule binding data for protein Cholinesterase, Uniprot P06276
DOI: 10.7270/q20r9p71
title: BindingDB Entry 50027022: Selective A(3) adenosine receptor antagonists derived from nucleosides containing a bicyclo[3.1.0]hexane ring system.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q20v8ccr
title: BindingDB Entry 50017178: 1,2,4-Triazolo[1,5-a]quinoxaline as a versatile tool for the design of selective human A3 adenosine receptor antagonists: synthesis, biological evaluation, and molecular modeling studies of 2-(hetero)aryl- and 2-carboxy-substituted derivatives.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P28190, P29274, and P30542
DOI: 10.7270/q22z159c
title: BindingDB Entry 50022835: Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors.

description: Small molecule binding data for protein Fibroblast growth factor receptor and Fibroblast growth factor receptor 1, Uniprot P11362 and P16092
DOI: 10.7270/q23j3cmt
title: BindingDB Entry 50019384: Synthesis and biological evaluation of unprecedented classes of spiro-beta-lactams and azido-beta-lactams as acyl-CoA:cholesterol acyltransferase inhibitors.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q23j3cth
title: BindingDB Entry 50027035: Discovery of thieno[2,3-c]pyridines as potent COT inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1 and Mitogen-activated protein kinase kinase kinase 8, Uniprot P41279 and Q02750
DOI: 10.7270/q23n22z7
title: BindingDB Entry 50017186: Synthesis and biological evaluation of a novel series of"ortho-nitrated" inhibitors of catechol-O-methyltransferase.

description: Small molecule binding data for protein Catechol-O-methyltransferase, Uniprot P22734
DOI: 10.7270/q26q1x08
title: BindingDB Entry 50022668: Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 4A3, Uniprot O75365
DOI: 10.7270/q27944bj
title: BindingDB Entry 50019377: Lead optimization of 5,6-diarylpyridines as CB1 receptor inverse agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q27944j7
title: BindingDB Entry 50027034: Design and synthesis of fluorescent SGLT2 inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q27d2tpk
title: BindingDB Entry 50017185: Discovery of indoles as potent and selective inhibitors of the deacetylase SIRT1.

description: Small molecule binding data for protein Lymphocyte differentiation antigen CD38, NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent protein deacetylase sirtuin-3 (SIRT3), Uniprot P28907, Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2bc3z98
title: BindingDB Entry 50022664: N-Alkylated galanthamine derivatives: Potent acetylcholinesterase inhibitors from Leucojum aestivum.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2c24w3b
title: BindingDB Entry 50019376: Novel hydroxamic acid-related phosphinates: inhibition of neutral aminopeptidase N (APN).

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144
DOI: 10.7270/q2c24w8k
title: BindingDB Entry 50027033: Lipid-lowering (hetero)aromatic tetrahydro-1,4-oxazine derivatives with antioxidant and squalene synthase inhibitory activity.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2c53kd9
title: BindingDB Entry 50017184: Potent Dmt-Tic pharmacophoric delta- and mu-opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, and P97266
DOI: 10.7270/q2g44q10
title: BindingDB Entry 50022658: Investigations of the esterase, phosphatase, and sulfatase activities of the cytosolic mammalian carbonic anhydrase isoforms I, II, and XIII with 4-nitrophenyl esters as substrates.

description: Small molecule binding data for protein Carbonic Anhydrase XIII, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q9D6N1