cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m61j08
title: BindingDB Entry 6826: Plant-derived flavones as inhibitors of aurora B kinase and their quantitative structure-activity relationships.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Uniprot Q96GD4
DOI: 10.7270/q2mk6brb
title: BindingDB Entry 8114: 5-HT3 receptor antagonists

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2n58k43
title: BindingDB Entry 6818: N1/N2-lactam acetyl-CoA carboxylase inhibitors

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/q2pv6j61
title: BindingDB Entry 7431: Compounds and methods for purification of serine proteases

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2qz28q8
title: BindingDB Entry 6825: Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2rb73g2
title: BindingDB Entry 8113: Heterocyclic carboxylic acid ester derivative

description: Small molecule binding data for protein Enteropeptidase and Trypsin-1, Uniprot P07477 and P98073
DOI: 10.7270/q2sn07sh
title: BindingDB Entry 7438: Disubstituted benzothienyl-pyrrolotriazines and uses thereof

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 and Fibroblast growth factor receptor 3, Uniprot P11362 and P22607
DOI: 10.7270/q2vq31dj
title: BindingDB Entry 6824: Pyrrolopyrimidines as janus kinase inhibitors

description: Small molecule binding data for protein JAK3/JAK1 and Tyrosine-protein kinase JAK2, Uniprot O60674 and P52333
DOI: 10.7270/q2w37v6d
title: BindingDB Entry 8112: FAP inhibitors

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Endopeptidase prolyl oligopeptidase (PREP), and Fibroblast activation protein (FAP), Uniprot P27487, P48147, P97321, Q86TI2, and Q9UHL4
DOI: 10.7270/q2xd10gs
title: BindingDB Entry 7437: Piperazine-substituted benzothiophenes for treatment of mental disorders

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P14842 and P61169
DOI: 10.7270/q2154ft9
title: BindingDB Entry 7444: Evolution of Src Homology 2 (SH2) Domain to Recognize Sulfotyrosine.

description: Small molecule binding data for protein Src homology 2 domain (SH2-wt), Src homology 2 domain mutant (SH2-58.6), Src homology 2 domain mutant (SH2-60.1), and Src homology 2 domain mutant (SH2-tm)
DOI: 10.7270/q22806bz
title: BindingDB Entry 6839: Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C

description: Small molecule binding data for protein Dipeptidyl peptidase I, Uniprot P53634
DOI: 10.7270/q22n515b
title: BindingDB Entry 8126: Unusual activity pattern of leucine aminopeptidase inhibitors based on phosphorus containing derivatives of methionine and norleucine.

description: Small molecule binding data for protein Leucine aminopeptidase (LAP)
DOI: 10.7270/q2348j4c
title: BindingDB Entry 6831: Characterization of two distinct modes of drug binding to human intestinal fatty acid binding protein.

description: Small molecule binding data for protein Intestinal fatty acid-binding protein (hIFABP), Uniprot P12104
DOI: 10.7270/q24x56k5
title: BindingDB Entry 7443: Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT) and Lysophospholipase-like 1 (LYPLAL1), Uniprot P23141 and Q5VWZ2
DOI: 10.7270/q26d5rw8
title: BindingDB Entry 8125: Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold.

description: Small molecule binding data for protein Cannabinoid receptor 1 (CB1), Uniprot Q99NU1
DOI: 10.7270/q26w98tx
title: BindingDB Entry 6829: Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents.

description: Small molecule binding data for protein Cyclooxygenase, Prostaglandin G/H synthase (cyclooxygenase), and Secretory phospholipase A2, group V (sPLA2-V), Uniprot P05979, P35354, and P39877
DOI: 10.7270/q27d2t12
title: BindingDB Entry 8117: Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase SYK, Uniprot P43405
DOI: 10.7270/q28p5z9h
title: BindingDB Entry 7442: 2-Heteroarylidene-1-indanone derivatives as inhibitors of monoamine oxidase.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2b56hm0
title: BindingDB Entry 8124: Synthesis, stability, biochemical and pharmacokinetic properties of a new potent and selective 4-oxo-β-lactam inhibitor of human leukocyte elastase.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2df6q17
title: BindingDB Entry 7441: Molecular docking studies and biological evaluation of 1,3,4-thiadiazole derivatives bearing Schiff base moieties as tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase
DOI: 10.7270/q2ff3r28
title: BindingDB Entry 6836: Repurposing human PDE4 inhibitors for neglected tropical diseases. Evaluation of analogs of the human PDE4 inhibitor GSK-256066 as inhibitors of PDEB1 of Trypanosoma brucei.

description: Small molecule binding data for protein Class I phosphodiesterase B1 (TbrPDEB1) and cAMP-specific 3',5'-cyclic phosphodiesterase 4A, Uniprot P27815
DOI: 10.7270/q2ft8jxp
title: BindingDB Entry 8123: Substituted piperidines as sodium channel blockers

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2h70dn5
title: BindingDB Entry 7448: A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate.

description: Small molecule binding data for protein Phosphoglycerate dehydrogenase (PHGDH), Uniprot O43175
DOI: 10.7270/q2j67frj
title: BindingDB Entry 7440: Inhibitors of beta-secretase

description: Small molecule binding data for protein Beta-secretase 1 (1-458 aa)
DOI: 10.7270/q2k64gsk
title: BindingDB Entry 6835: Synthesis of Novel Hybrids Inspired from Bromopyrrole Alkaloids Inhibiting MMP-2 and -12 as Antineoplastic Agents.

description: Small molecule binding data for protein Collagenase and Matrix metalloproteinase-12 (MMP12), Uniprot P08253 and P39900
DOI: 10.7270/q2kk99nd
title: BindingDB Entry 8122: Ethynyl derivatives

description: Small molecule binding data for protein Metabotropic glutamate receptor 5a (mGluR5)
DOI: 10.7270/q2n015cw
title: BindingDB Entry 7447: AIG1 and ADTRP are atypical integral membrane hydrolases that degrade bioactive FAHFAs.

description: Small molecule binding data for protein Androgen-dependent TFPI-regulating protein (ADTRP) and Androgen-induced gene 1 protein (AIG1), Uniprot Q96IZ2 and Q9NVV5
DOI: 10.7270/q2nz86fh
title: BindingDB Entry 7439: Inhibitors of the renal outer medullary potassium channel

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, Uniprot P48048
DOI: 10.7270/q2pz57jf
title: BindingDB Entry 6834: Enzymatic Studies of Isoflavonoids as Selective and Potent Inhibitors of Human Leukocyte 5-Lipo-Oxygenase.

description: Small molecule binding data for protein 15-Lipoxygenase-2 (15-LOX-2), 5-lipoxygenase/FLAP, Cyclooxygenase, and Prostaglandin G/H synthase (cyclooxygenase), Uniprot O15296, P05979, P09917, and P35354
DOI: 10.7270/q2qc02cp
title: BindingDB Entry 8121: Methods of treatment using modulators of SIRT2

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, NAD-dependent protein deacetylase sirtuin-3 (SIRT3), NAD-dependent protein deacetylase sirtuin-5 (SIRT5), NAD-dependent protein deacetylase sirtuin-7 (SIRT7), and Sirtuin-6 (SIRT6), Uniprot Q8IXJ6, Q8N6T7, Q96EB6, Q9NRC8, Q9NTG7, and Q9NXA8
DOI: 10.7270/q2tq6085
title: BindingDB Entry 6833: Design, synthesis, biological evaluation, and molecular docking of novel benzopyran and phenylpyrazole derivatives as Akt inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2v40t31
title: BindingDB Entry 8120: Heterocyclic carboxylic acids as activators of soluble guanylate cyclase

description: Small molecule binding data for protein Soluble guanylate cyclase (sGC), Uniprot Q02108 and Q02153
DOI: 10.7270/q2wd3zcg
title: BindingDB Entry 7445: Phenoxazine derivatives and methods of use thereof

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2zg6qzn
title: BindingDB Entry 6832: A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery.

description: Small molecule binding data for protein Tuberculosinyl adenosine synthase (Rv3378c), cis-Decaprenyl diphosphate synthase (cis-DPPS), and cis-Farnesyl diphosphate synthase (cis-FPPS), Uniprot P9WFF6, P9WJ60, and Q7U0P8
DOI: 10.7270/q2zw1jt1
title: BindingDB Entry 8119: Bicyclic dihydroquinoline-2-one derivatives

description: Small molecule binding data for protein Cytochrome P450 11B2 and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P15538 and P19099
DOI: 10.7270/q2057drt
title: BindingDB Entry 7452: Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P52333, Q06187, and Q08881
DOI: 10.7270/q21n800h
title: BindingDB Entry 8134: The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q23x85fs
title: BindingDB Entry 7451: Heterocyclic compounds for the treatment of stress-related conditions

description: Small molecule binding data for protein G-protein coupled receptor 10 (GPR10), Uniprot P49683
DOI: 10.7270/q2513wzz
title: BindingDB Entry 6846: Exploring the Role of Residue 228 in Substrate and Inhibitor Recognition by VIM Metallo-β-lactamases.

description: Small molecule binding data for protein Metallo-beta-lactamase VIM-2 (VIM-2) and Metallo-beta-lactamase VIM-24 (VIM-24), Uniprot E0AFT6
DOI: 10.7270/q25d8qqf
title: BindingDB Entry 8133: Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors.

description: Small molecule binding data for protein 15-Lipoxygenase (SLO), Uniprot P09186
DOI: 10.7270/q25x27p3
title: BindingDB Entry 6838: Tetrahydrocyclopenta[c]acridine derivatives as kinase inhibitors and biological

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5) and Cyclin-dependent kinase 1, Uniprot P06493 and Q00535
DOI: 10.7270/q27p8x6k
title: BindingDB Entry 7450: Structural analysis of human KDM5B guides histone demethylase inhibitor development.

description: Small molecule binding data for protein Lysine-specific demethylase 2A, Lysine-specific demethylase 3A, Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 5A (KDM5A), Lysine-specific demethylase 5B (KDM5Flag-5B-FL), Lysine-specific demethylase 5C (KDM5C), Lysine-specific demethylase 5D (KDM5D), and Lysine-specific demethylase 6B (KDM6B), Uniprot I3VM53, O15054, Q9H3R0, Q9UGL1, Q9Y2K7, and Q9Y4C1
DOI: 10.7270/q28s4nnx
title: BindingDB Entry 6845: Compounds for the treatment of addiction

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Amine oxidase [flavin-containing] A, and Amine oxidase [flavin-containing] B, Uniprot P05091, P21397, and P27338
DOI: 10.7270/q2959gf5
title: BindingDB Entry 8132: Hyperbolic mixed-type inhibition of acetylcholinesterase by tetracyclic thienopyrimidines.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P22303
DOI: 10.7270/q29p30cc
title: BindingDB Entry 6837: Phenylcyclopropylamine derivatives and their medical use

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2bg2ms2
title: BindingDB Entry 7457: Heterocyclic derivative and pharmaceutical composition comprising the same

description: Small molecule binding data for protein P2X purinoceptor 3, Uniprot P56373
DOI: 10.7270/q2cf9nxw
title: BindingDB Entry 7449: An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.

description: Small molecule binding data for protein Histone demethylase JARID1A, Lysine-specific demethylase 2B (KDM2B), Lysine-specific demethylase 3B (KDM3B), Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 5B (KDM5Flag-5B-FL), Lysine-specific demethylase 5C, Lysine-specific demethylase 6A (KDM6A), and Lysine-specific demethylase 7B (KDM7B), Uniprot O15550, P29375, P41229, Q7LBC6, Q8NHM5, Q9UGL1, and Q9UPP1
DOI: 10.7270/q2df6pzx
title: BindingDB Entry 6844: Amides of acetic and propionic acids

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2dz0754
title: BindingDB Entry 8131: Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2g73chs
title: BindingDB Entry 7456: Therapeutic compounds for blocking DNA synthesis of POX viruses

description: Small molecule binding data for protein DNA Synthesis, Uniprot P06856
DOI: 10.7270/q2j67fn6
title: BindingDB Entry 6843: Pyrazolopyrimidine JAK inhibitor compounds and methods

description: Small molecule binding data for protein JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2jm28j1
title: BindingDB Entry 8130: The evaluation of inhibitive effectiveness of the tumour necrosis factor-α converting enzyme selective inhibitors by HPLC.

description: Small molecule binding data for protein ADAM17 and Collagenase, Uniprot P14780 and P78536
DOI: 10.7270/q2nz86cm
title: BindingDB Entry 6842: Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BChE), Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot O42275, P19643, P21396, and Q9N1N9
DOI: 10.7270/q2pc318r
title: BindingDB Entry 8129: Synthesis and characterisation of two novel proton transfer compounds and their inhibition studies on carbonic anhydrase isoenzymes.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2qr4vz4
title: BindingDB Entry 7454: Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2rr1x2g
title: BindingDB Entry 7446: New IDH1 mutant inhibitors for treatment of acute myeloid leukemia

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Isocitrate dehydrogenase 1 mutant (R132C), Isocitrate dehydrogenase 1 mutant (R132G), Isocitrate dehydrogenase 1 mutant (R132H), Isocitrate dehydrogenase 2 (IDH2), Isocitrate dehydrogenase 2 mutant (R140Q), and Isocitrate dehydrogenase 2 mutant (R172S), Uniprot O75874 and P48735
DOI: 10.7270/q2sq8z4d
title: BindingDB Entry 6841: Pharmaceutically active compounds as Axl inhibitors

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Uniprot P30530
DOI: 10.7270/q2t43rz7
title: BindingDB Entry 8128: Nantenine as an acetylcholinesterase inhibitor: SAR, enzyme kinetics and molecular modeling investigations.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2vh5mnd
title: BindingDB Entry 7453: Inhibitors of the renal outer medullary potassium channel

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, Uniprot P48048
DOI: 10.7270/q2xg9pw5
title: BindingDB Entry 6840: Oxazine derivatives

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2xw4hpn
title: BindingDB Entry 8127: Synthesis and antiproliferative activities against Hep-G2 of salicylanide derivatives: potent inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor (EGFR)
DOI: 10.7270/q218358g
title: BindingDB Entry 6847: Discovery of inter-domain stabilizers-a novel assay system for allosteric akt inhibitors.

description: Small molecule binding data for protein Protein kinase B (Akt1 E49C, C296S, C310S and C344S )
DOI: 10.7270/q22z14bd
title: BindingDB Entry 7459: (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2)
DOI: 10.7270/q2416vtk
title: BindingDB Entry 6854: Structure-guided design of a high affinity inhibitor to human CtBP.

description: Small molecule binding data for protein C-terminal-binding protein 1 (CtBP1) and C-terminal-binding protein 2 (CtBP2), Uniprot P56545 and Q13363
DOI: 10.7270/q24f1pm2
title: BindingDB Entry 8141: Inhibition of lipoxygenase (LOX) and anticancer activity caused by gold(I) mixed ligands complexes of triphenylphosphine and thioamides.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q26q1w19
title: BindingDB Entry 7458: Aryl substituted indoles and their use as blockers of sodium channels

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q27s7mhj
title: BindingDB Entry 6853: Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.

description: Small molecule binding data for protein Chromobox protein homolog 7 (CBX7), E3 ubiquitin-protein ligase (UHRF1), Histone demethylase JARID1A, Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1), Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3), MBT domain-containing protein 1 (MBTD1), Methyl-lysine binding protein (53BP1), PHD finger protein 1 (PHF1), PHD finger protein 19 (PHF19), and PHD finger protein 23 (PHF23), Uniprot O43189, O95931, P29375, Q05BQ5, Q12888, Q5T6S3, Q96JM7, Q96T88, and Q9BUL5
DOI: 10.7270/q2862fbs
title: BindingDB Entry 8140: Bifunctional phenolic-choline conjugates as anti-oxidants and acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2cj8c6t
title: BindingDB Entry 6852: Selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3 that impairs cancer cell survival.

description: Small molecule binding data for protein Platelet-activating factor acetylhydrolase 1b2 (PAFAH1b2), Uniprot Q61206
DOI: 10.7270/q2cz3626
title: BindingDB Entry 8139: Urease inhibitors from Indigofera gerardiana Wall.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2h70dk8
title: BindingDB Entry 6851: Discovery of desketoraloxifene analogues as inhibitors of mammalian, Pseudomonas aeruginosa, and NAPE phospholipase D enzymes.

description: Small molecule binding data for protein Phospholipase D (PLD), Phospholipase D (PldA), and Phospholipase D2 (PLD2), Uniprot A0A0C6EPQ5, O14939, and Q13393
DOI: 10.7270/q2hq3xs4
title: BindingDB Entry 8138: The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors.

description: Small molecule binding data for protein Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uridine-5'-diphosphoglucuronosyltransferase 1A4, Uridine-5'-diphosphoglucuronosyltransferase 1A6, Uridine-5'-diphosphoglucuronosyltransferase 2B10, and Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot P16662, P19224, P22309, P22310, and P36537
DOI: 10.7270/q2k0732p
title: BindingDB Entry 7463: 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, Nitric oxide synthase, brain, Nitric-oxide synthase (endothelial and brain), and Nitric-oxide synthase, brain, Uniprot P29473, P29475, P29476, and P29477
DOI: 10.7270/q2m0447h
title: BindingDB Entry 7455: Organic compounds and their uses

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2n0158j
title: BindingDB Entry 6850: Bicyclic aryl and heteroaryl sodium channel inhibitors

description: Small molecule binding data for protein Sodium channel alpha subunit and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q14524 and Q15858
DOI: 10.7270/q2nc603x
title: BindingDB Entry 8137: Synthesis and biological evaluation of polyhydroxy benzophenone as mushroom tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot Q00024
DOI: 10.7270/q2pr7ts9
title: BindingDB Entry 7462: Pyrazole compounds as CRTH2 antagonists

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2rr1x0k
title: BindingDB Entry 6849: 3-amido-pyrrolo[3,4-C]pyrazole-5(1H, 4H,6H) carbaldehyde derivatives

description: Small molecule binding data for protein PKC alpha and beta-2, Uniprot P05771
DOI: 10.7270/q2s46qtv
title: BindingDB Entry 8136: A FLT3-inhibitory constituent from the rhizomes of Anemarrhena asphodeloides.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Epidermal growth factor receptor, and Insulin receptor, Uniprot P00533, P06213, and Q9UM73
DOI: 10.7270/q2th8kh1
title: BindingDB Entry 7461: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition

description: Small molecule binding data for protein Catalytic domain 1 (zCD1), Catalytic domain 1 H82F/F202Y (zCD1 H82F/F202Y), Catalytic domain 2 (zCD2), Catalytic domain 2 S531A (zCD2 S531A), Tandem CD1-CD2 construct (hCD12), Tandem CD1-CD2 construct H255V (hCD12 H255V), and Tandem CD1-CD2 construct H651V (hCD12 H651V)
DOI: 10.7270/q2wh2nrb
title: BindingDB Entry 6848: Identification and further development of potent TBK1 inhibitors.

description: Small molecule binding data for protein IKK epsilon/TBK1, Uniprot Q9UHD2
DOI: 10.7270/q2ww7ght
title: BindingDB Entry 8135: Design, synthesis and pharmacological evaluation of conformationally restricted N-arylsulfonyl-3-aminoalkoxy indoles as a potential 5-HT6 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 4 (5-HT4), Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Muscarinic acetylcholine receptor M1, and Serotonin (5-HT) receptor, Uniprot P08684, P10635, P11229, P32305, P50406, and Q13639