cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2t153w6
title: BindingDB Entry 50032761: Stereospecific synthesis and structure-activity relationships of unsymmetrical 4,4-diphenylbut-3-enyl derivatives of nipecotic acid as GAT-1 inhibitors.

description: Small molecule binding data for protein Betaine transporter, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A, GABA transporter 1, GABA transporter 2, and GABA transporter 3, Uniprot P05177, P08684, P11712, P30531, P33261, P48065, P48066, and Q9NSD5
DOI: 10.7270/q2ws8tpj
title: BindingDB Entry 50034441: New benzimidazole derivatives as antiplasmodial agents and plasmepsin inhibitors: synthesis and analysis of structure-activity relationships.

description: Small molecule binding data for protein Cathepsin D and Plasmepsin 2, Uniprot P07339 and P46925
DOI: 10.7270/q2x067ks
title: BindingDB Entry 50035244: Synthesis and dopamine transporter binding affinities of 3alpha-benzyl-8-(diarylmethoxyethyl)-8-azabicyclo[3.2.1]octanes.

description: Small molecule binding data for protein Monoamine transporters; Norepininephrine & dopamine, Uniprot P23977
DOI: 10.7270/q2x34xtg
title: BindingDB Entry 50033574: New 2-thioether-substituted apomorphines as potent and selective dopamine D2 receptor agonists.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P21728 and P61169
DOI: 10.7270/q2xp757r
title: BindingDB Entry 50032760: Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia& diabetes.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q20k291d
title: BindingDB Entry 50034448: Antidiabetogenic oligostilbenoids and 3-ethyl-4-phenyl-3,4-dihydroisocoumarins from the bark of Shorea roxburghii.

description: Small molecule binding data for protein Acidic alpha-glucosidase, Aldose reductase, and alpha-Glucosidase (α-Glucosidase), Uniprot P07943, P23739, and Q6P7A9
DOI: 10.7270/q20r9px0
title: BindingDB Entry 50035251: Synthesis and pharmacology of isoquinuclidine derivatives as 5-HT(3) ligands.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Serotonin 3 (5-HT3) receptor, and Serotonin 4 (5-HT4) receptor, Uniprot O70528, P35563, P61169, and Q9JJ16
DOI: 10.7270/q21g0mjc
title: BindingDB Entry 50032768: Design, synthesis, and testing of an 6-O-linked series of benzimidazole based inhibitors of CDK5/p25.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and Cyclin-Dependent Kinase 5 (CDK5), Uniprot P20248, P24941, P78396, Q00535, and Q15078
DOI: 10.7270/q23n23rz
title: BindingDB Entry 50033589: Progress in structure based drug design for G protein-coupled receptors.

description: Small molecule binding data for protein Adenosine receptor A2a, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Beta-3 adrenergic receptor, Bradykinin B1 receptor, Hydroxycarboxylic acid receptor 2, and Muscarinic acetylcholine receptor M1, Uniprot P07550, P11229, P13945, P29274, P46663, and Q8TDS4
DOI: 10.7270/q2474b4q
title: BindingDB Entry 50032775: Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome.

description: Small molecule binding data for protein Cytochrome P450 3A and Serotonin 3 (5-HT3) receptor, Uniprot P08684 and P46098
DOI: 10.7270/q24b31s5
title: BindingDB Entry 50034447: SAR studies of C2 ethers of 2H-pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-triones as nicotinic acid receptor (NAR) agonist.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q80Z39 and Q8TDS4
DOI: 10.7270/q24j0fn8
title: BindingDB Entry 50035250: Synthesis and evaluation of thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase.

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P9WKE1
DOI: 10.7270/q2571c83
title: BindingDB Entry 50032767: Design of novel N-phenylnicotinamides as selective cyclooxygenase-1 inhibitors.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2736rc4
title: BindingDB Entry 50034454: Tricyclic 3,4-dihydropyrimidine-2-thione derivatives as potent TRPA1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762 and Q6RI86
DOI: 10.7270/q27d2vhr
title: BindingDB Entry 50033588: Leucettines, a class of potent inhibitors of cdc2-like kinases and dual specificity, tyrosine phosphorylation regulated kinases derived from the marine sponge leucettamine B: modulation of alternative pre-RNA splicing.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK3, Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, and Serine/threonine-protein kinase PIM, Uniprot O35492, P11309, P22518, Q00535, Q15078, Q63470, and Q92630
DOI: 10.7270/q2833shh
title: BindingDB Entry 50034446: Discovery of potent and liver-targeted stearoyl-CoA desaturase (SCD) inhibitors in a bispyrrolidine series.

description: Small molecule binding data for protein Acyl-CoA desaturase 1, Fatty acid desaturase 1, Fatty acid desaturase 2, Stearoyl-CoA desaturase 1, Stearoyl-CoA desaturase 1 (SCD1), and Stearoyl-CoA desaturase 5, Uniprot O00767, O60427, O95864, P07308, P13516, and Q86SK9
DOI: 10.7270/q28916c0
title: BindingDB Entry 50035249: Novel piperidinium and pyridinium agents as water-soluble acetylcholinesterase inhibitors for the reversal of neuromuscular blockade.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2bv7h3j
title: BindingDB Entry 50034453: The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.

description: Small molecule binding data for protein Casein kinase I isoform delta, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P48730, and Q9Y233
DOI: 10.7270/q2c24wzj
title: BindingDB Entry 50035256: Convenient synthesis and evaluation of enzyme inhibitory activity of several N-alkyl-, N-phenylalkyl, and cyclic isourea derivatives of 5a-carba-alpha-DL-fucopyranosylamine.

description: Small molecule binding data for protein β-galactosidase and Alpha-L-fucosidase I, Uniprot P04066 and Q58D55
DOI: 10.7270/q2c53m61
title: BindingDB Entry 50033587: Design and synthesis of small molecule RhoA inhibitors: a new promising therapy for cardiovascular diseases?

description: Small molecule binding data for protein Transforming protein RhoA, Uniprot P61586
DOI: 10.7270/q2dr2vsb
title: BindingDB Entry 50032764: Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues.

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/q2gm87sd
title: BindingDB Entry 50034452: Synthesis and binding affinity ata4ß2 anda7 nicotinic acetylcholine receptors of new analogs of epibatidine and epiboxidine containing the 7-azabicyclo[2.2.1]hept-2-ene ring system.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P17787, P36544, and P43681
DOI: 10.7270/q2gq6z93
title: BindingDB Entry 50035255: Cyclic acid anhydrides as a new class of potent, selective and non-peptidic inhibitors of geranylgeranyl transferase.

description: Small molecule binding data for protein Geranylgeranyl transferase type I and Protein farnesyltransferase, Uniprot P49354 and P49356
DOI: 10.7270/q2gt5nj5
title: BindingDB Entry 50033586: Structure-based design of novel boronic acid-based inhibitors of autotaxin.

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2hh6kb7
title: BindingDB Entry 50032772: The synthesis and biological evaluation of 2-(3-methyl or 3-phenylisoxazol-5-yl)-3-aryl-8-thiabicyclo[3.2.1]octanes.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2jh3mgm
title: BindingDB Entry 50032763: Identification of novel ASK1 inhibitors using virtual screening.

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Uniprot Q99683
DOI: 10.7270/q2kk9c4h
title: BindingDB Entry 50033593: Identification of new inhibitors of protein kinase R guided by statistical modeling.

description: Small molecule binding data for protein Interferon-induced, double-stranded RNA-activated protein kinase, Uniprot P19525
DOI: 10.7270/q2mc90gp
title: BindingDB Entry 50034451: AMG 837: a potent, orally bioavailable GPR40 agonist.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842, Q76JU9, and Q8K3T4
DOI: 10.7270/q2mg7q1t
title: BindingDB Entry 50035254: Synthesis of 4-(8-benzo[1,2,5]oxadiazol-5-yl-[1,7]naphthyridine-6-yl)-benzoic acid: a potent and selective phosphodiesterase type 4D inhibitor.

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 3, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O76074, P27815, P54750, Q01064, Q07343, Q08493, Q08499, Q13370, Q14123, and Q14432
DOI: 10.7270/q2mk6d7f
title: BindingDB Entry 50033585: Novel 3,5-bis(bromohydroxybenzylidene)piperidin-4-ones as coactivator-associated arginine methyltransferase 1 inhibitors: enzyme selectivity and cellular activity.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Protein-arginine N-methyltransferase 1, and SET domain-containing protein 7/9 (Set7/9), Uniprot Q86X55 and Q8WTS6
DOI: 10.7270/q2n87b2z
title: BindingDB Entry 50032771: Diphenylpropynone derivatives as probes for imagingß-amyloid plaques in Alzheimer's brains.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2r211v4
title: BindingDB Entry 50034450: Design and synthesis of potent carboxylic acid DGAT1 inhibitors with high cell permeability.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, Q96PD7, and Q9Z2A7
DOI: 10.7270/q2r78fqp
title: BindingDB Entry 50035253: N-Methylbenzanilide derivatives as a novel class of selective V(1A) receptor antagonists.

description: Small molecule binding data for protein AVPR1A and Vasopressin V2 Receptor, Uniprot P30560 and Q00788
DOI: 10.7270/q2rb74zr
title: BindingDB Entry 50033583: Bivalent dopamine D2 receptor ligands: synthesis and binding properties.

description: Small molecule binding data for protein Dopamine D1 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and P50130
DOI: 10.7270/q2s182s8
title: BindingDB Entry 50032770: Application of p21 and klf2 reporter gene assays to identify selective histone deacetylase inhibitors for cancer therapy.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot O15379, Q13547, and Q92769
DOI: 10.7270/q2v40vj8
title: BindingDB Entry 50033591: Structure-activity relationships of a series of analogues of the RFamide-related peptide 26RFa.

description: Small molecule binding data for protein GPR103, Uniprot Q96P65
DOI: 10.7270/q2vt1sjq
title: BindingDB Entry 50034449: Enzymatic transformation of caffeic acid with enhanced cyclooxygenase-2 inhibitory activity.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2w096fd
title: BindingDB Entry 50035252: Synthesis and biological activities of YkFA analogues: effects of position 4 substitutions and altered ring size on in vitro opioid activity.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P32300 and P97266
DOI: 10.7270/q2w37wp3
title: BindingDB Entry 50033582: Total synthesis and pharmacological characterization of solomonsterol A, a potent marine pregnane-X-receptor agonist endowed with anti-inflammatory activity.

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2ws8th9
title: BindingDB Entry 50032769: Inhibition ofß-carbonic anhydrases with ureido-substituted benzenesulfonamides.

description: Small molecule binding data for protein Carbonic Anhydrase (mtCA 1), Carbonic anhydrase 2, and PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Uniprot P00918 and P9WPJ7
DOI: 10.7270/q2zw1m8p
title: BindingDB Entry 50033590: Synthesis, protein kinase inhibitory potencies, and in vitro antiproliferative activities of meridianin derivatives.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificty protein kinase CLK1, and Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Uniprot P49759, Q00535, Q15078, and Q63470
DOI: 10.7270/q20k28vr
title: BindingDB Entry 50032776: Trishomocubane as a scaffold for the development of selective dopamine transporter (DAT) ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D5 receptor, Dopamine receptor, Histamine H1 receptor, Histamine H2 Receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, OPIATE Sigma, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08172, P08173, P08912, P08913, P11229, P18825, P20309, P21918, P23975, P25021, P28223, P31645, P35367, P35462, P41595, P50406, Q01959, Q4W594, and Q9R0C9
DOI: 10.7270/q22b8zf4
title: BindingDB Entry 50034463: Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands.

description: Small molecule binding data for protein Tumor susceptibility gene 101 protein, Uniprot Q99816
DOI: 10.7270/q22n52mk
title: BindingDB Entry 50033598: Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1) and Gonadotropin-releasing hormone receptor, Uniprot P30968 and P30969
DOI: 10.7270/q23b60kw
title: BindingDB Entry 50034455: Design and synthesis of a highly selective, orally active and potent anaplastic lymphoma kinase inhibitor (CH5424802).

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Hepatocyte growth factor receptor, Tyrosine-protein kinase Kit (Kit), and Vascular endothelial growth factor receptor 2, Uniprot P08581, P10721, P35968, and Q9UM73
DOI: 10.7270/q23j3dhw
title: BindingDB Entry 50035258: Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2639q5v
title: BindingDB Entry 50034462: Construction of an Indonesian herbal constituents database and its use in Random Forest modelling in a search for inhibitors of aldose reductase.

description: Small molecule binding data for protein Aldose reductase and Aldose reductase (AR), Uniprot P07943 and P15121
DOI: 10.7270/q269744p
title: BindingDB Entry 50035266: Silanediol-based inhibitor of thermolysin.

description: Small molecule binding data for protein Thermolysin, Uniprot P00800
DOI: 10.7270/q26d5tbx
title: BindingDB Entry 50033597: Backbone cyclic peptide inhibitors of protein kinase B (PKB/Akt).

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q279457m
title: BindingDB Entry 50035257: Development of potent and selective dipeptidyl peptidase II inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4), Uniprot P27487 and Q9UHL4
DOI: 10.7270/q28052v1
title: BindingDB Entry 50032774: Peptide deformylase inhibitors with non-peptide scaffold: synthesis and structure-activity relationships.

description: Small molecule binding data for protein Peptide deformylase, Uniprot Q9I7A8
DOI: 10.7270/q29w0fxv
title: BindingDB Entry 50034461: Quinolone derivatives containing strained spirocycle as orally active glycogen synthase kinase 3ß (GSK-3ß) inhibitors for type 2 diabetics.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2b27vvm
title: BindingDB Entry 50035265: Synthesis of [difluoro-(3-alkenylphenyl)-methyl]-phosphonic acids on non-crosslinked polystyrene and their evaluation as inhibitors of PTP1B.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2b56k33
title: BindingDB Entry 50033596: Synthesis and biological evaluation of novel thiazolidinedione analogues as 15-hydroxyprostaglandin dehydrogenase inhibitors.

description: Small molecule binding data for protein 15-hydroxyprostaglandin dehydrogenase [NAD+], Uniprot P15428
DOI: 10.7270/q2br8sfp
title: BindingDB Entry 50032781: 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands: structural insights into the design of a novel inverse agonist series.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2cr5tmh
title: BindingDB Entry 50032773: Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT(2C) agonists for the treatment of metabolic disorders.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2fn16nk
title: BindingDB Entry 50034460: A review on coumarins as acetylcholinesterase inhibitors for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276, P22303, and P37136
DOI: 10.7270/q2ft8mk1
title: BindingDB Entry 50035264: Synthesis and biological activity of olomoucine II.

description: Small molecule binding data for protein Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Uniprot O95067, P06493, P14635, and Q8WWL7
DOI: 10.7270/q2fx79sn
title: BindingDB Entry 50033595: Imidazolopiperazines: hit to lead optimization of new antimalarial agents.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q2gh9j79
title: BindingDB Entry 50032780: New imidazoline/a(2)-adrenoceptors affecting compounds-4(5)-(2-aminoethyl)imidazoline (dihydrohistamine) derivatives. Synthesis and receptor affinity studies.

description: Small molecule binding data for protein Imidazoline I1, Uniprot Q4G017
DOI: 10.7270/q2kd1zcx
title: BindingDB Entry 50034459: Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT imaging.

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a), Vasopressin V1b receptor, and Vasopressin V2 receptor (V2), Uniprot P30518, P37288, and P47901
DOI: 10.7270/q2kk9c9r
title: BindingDB Entry 50035262: Synthesis and structure-activity relationships of aminoalkylazetidines as ORL1 receptor ligands.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2m908z5
title: BindingDB Entry 50032779: Novel tetrahydropyrido[3,2-c]pyrroles as 5-HT(7) antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and Serotonin (5-HT) receptor, Uniprot P32305 and P34969
DOI: 10.7270/q2q52q26
title: BindingDB Entry 50034458: Multi-receptor drug design: Haloperidol as a scaffold for the design and synthesis of atypical antipsychotic agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Alpha-2C adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Muscarinic acetylcholine receptor M1, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08908, P08909, P11229, P14416, P18825, P28223, P30729, P34969, P35367, P35462, and Q4W594
DOI: 10.7270/q2q81dnr
title: BindingDB Entry 50035261: bis-Azaaromatic quaternary ammonium analogues: ligands for alpha4beta2* and alpha7* subtypes of neuronal nicotinic receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483, P12390, and Q05941
DOI: 10.7270/q2qc03tx
title: BindingDB Entry 50033592: Irreversible Nek2 kinase inhibitors with cellular activity.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-dependent kinase 2, Serine/threonine-protein kinase Nek2, and Serine/threonine-protein kinase PLK1, Uniprot P06493, P14635, P24941, P51955, and P53350
DOI: 10.7270/q2r211pw
title: BindingDB Entry 50032778: Discovery of novel, potent, selective, and orally active human glucagon receptor antagonists containing a pyrazole core.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Gastric inhibitory polypeptide receptor, Glucagon receptor, Glucagon-like peptide 1 receptor (GLP-1), Pituitary adenylate cyclase-activating polypeptide type I receptor, Pregnane X receptor (PXR), Uncharacterized protein, and Voltage-gated potassium channel, Uniprot O75469, P08684, P10632, P10635, P11712, P30082, P41586, P43220, P47871, P48546, Q12809, and Q61606
DOI: 10.7270/q2t43tdw
title: BindingDB Entry 50033600: Inhibition of a prolyl hydroxylase domain (PHD) by substrate analog peptides.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q2tt4rdb
title: BindingDB Entry 50034457: Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10.

description: Small molecule binding data for protein Aldo-keto reductase family member 1B10 (AKR1B10) and Aldose reductase (AR), Uniprot O60218 and P15121