cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q21j9c63
title: BindingDB Entry 50043235: Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, P05177, P05181, P10635, P11712, P20813, P33261, Q96PD7, and Q9Z2A7
DOI: 10.7270/q23j3f7q
title: BindingDB Entry 50042233: Identified a morpholinyl-4-piperidinylacetic acid derivative as a potent oral active VLA-4 antagonist.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2474cc8
title: BindingDB Entry 50043838: Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease.

description: Small molecule binding data for protein Butyrylcholinesterase (BuChE), Uniprot P81908
DOI: 10.7270/q24m962v
title: BindingDB Entry 50044343: A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: active vitamin D analogues with 22R-alkyl group.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q24x59d5
title: BindingDB Entry 50044879: Discovery and SAR of muscarinic receptor subtype 1 (M1) allosteric activators from a molecular libraries high throughput screen. Part 1: 2,5-dibenzyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-ones as positive allosteric modulators.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q25b03xz
title: BindingDB Entry 50043234: Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q27945z1
title: BindingDB Entry 50042232: 2,3-Diphenylpropionic acids as potent VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2805430
title: BindingDB Entry 50043837: Identification of small molecule sphingomyelin synthase inhibitors.

description: Small molecule binding data for protein Phosphatidylcholine:ceramide cholinephosphotransferase 2, Uniprot Q8NHU3
DOI: 10.7270/q28c9xrb
title: BindingDB Entry 50044342: Synthesis and evaluation of phosphorus containing, specific CDK9/CycT1 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563 and P50750
DOI: 10.7270/q28g8n2q
title: BindingDB Entry 50042761: Orvinols with mixed kappa/mu opioid receptor agonist activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and mu/kappa opioid receptor, Uniprot P33535, P41143, P41144, P41145, and P97266
DOI: 10.7270/q2930vmv
title: BindingDB Entry 50043233: Heteroaromatic and aniline derivatives of piperidines as potent ligands for vesicular acetylcholine transporter.

description: Small molecule binding data for protein Sigma-1 receptor and Vesicular acetylcholine transporter, Uniprot Q16572 and Q60492
DOI: 10.7270/q2c24xqt
title: BindingDB Entry 50042231: Quantitative structure-activity relationship analysis of a series of 2,3-diaryl benzopyran analogues as novel selective cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2), Uniprot Q05769
DOI: 10.7270/q2cr5vtm
title: BindingDB Entry 50043836: Discovery of 1-methyl-1H-imidazole derivatives as potent Jak2 inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Casein Kinase II, Casein kinase II, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, LIM domain kinase 1, Neurotrophic tyrosine kinase receptor, Non-receptor tyrosine-protein kinase TYK2, Protein kinase C (PKC), SRC, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase SIK1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O14965, O60674, P00519, P04629, P07949, P09769, P11362, P19784, P23458, P35916, P35968, P36888, P52332, P52333, P53667, P57059, P68400, Q05513, Q62120, Q62137, and Q9UM73
DOI: 10.7270/q2d50pgm
title: BindingDB Entry 50044341: Identification of (R)-6-(1-(4-cyano-3-methylphenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)-2-methoxynicotinic acid, a highly potent and selective nonsteroidal mineralocorticoid receptor antagonist.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q2d79cs1
title: BindingDB Entry 50042760: Rational design and synthesis of 4-substituted 2-pyridin-2-ylamides with inhibitory effects on SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2).

description: Small molecule binding data for protein Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2), Uniprot O15357
DOI: 10.7270/q2df6ssx
title: BindingDB Entry 50044877: Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P05177, P10635, P11712, P21453, P33261, and Q99500
DOI: 10.7270/q2gt5pf7
title: BindingDB Entry 50042230: Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P35367
DOI: 10.7270/q2gx4d7w
title: BindingDB Entry 50045335: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1.

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1, Mannose-6-phosphate isomerase, phosphatase, orphan 1, and phosphomannomutase 2, Uniprot O15305, P05186, P22413, P34949, and Q8TCT1
DOI: 10.7270/q2hx1f61
title: BindingDB Entry 50044340: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2j104jr
title: BindingDB Entry 50042759: Synthesis and SAR study of modulators inhibiting tRXRa-dependent AKT activation.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2j38v6p
title: BindingDB Entry 50044876: Synthesis and¿-opioid receptor activity of furan-substituted salvinorin A analogues.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2mp54xr
title: BindingDB Entry 50045334: Synthesis and biological evaluation of novel thiadiazole amides as potent Cdc25B and PTP1B inhibitors.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, P30305, and Q06124
DOI: 10.7270/q2np25zs
title: BindingDB Entry 50044339: Elucidation of different inhibition mechanism of small chemicals on PtdInsP-binding domains using in silico docking experiments.

description: Small molecule binding data for protein Epsin-1 and General receptor of phosphoinositides 1 (GRP1), Uniprot O43739 and Q9Y6I3
DOI: 10.7270/q2nv9kvs
title: BindingDB Entry 50044875: Discovery of (S)-2-cyclopentyl-N-((1-isopropylpyrrolidin2-yl)-9-methyl-1-oxo-2,9-dihydro-1H-pyrrido[3,4-b]indole-4-carboxamide (VU0453379): a novel, CNS penetrant glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Glucagon-like peptide 1 receptor (GLP-1), Uniprot P05177, P08684, P10635, P11712, and P43220
DOI: 10.7270/q2sj1n0h
title: BindingDB Entry 50042757: Stereoselective synthesis of a new class of potent and selective inhibitors of human¿8,7-sterol isomerase.

description: Small molecule binding data for protein Anti-estrogen binding site (AEBS), Uniprot Q15125
DOI: 10.7270/q2sn0bjm
title: BindingDB Entry 50044874: Decreasing the rate of metabolic ketone reduction in the discovery of a clinical acetyl-CoA carboxylase inhibitor for the treatment of diabetes.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1), Acetyl-CoA carboxylase 2 (ACC2), and Voltage-gated potassium channel, Uniprot O00763, P11497, Q12809, and Q13085
DOI: 10.7270/q2vt1tkk
title: BindingDB Entry 50043840: Selective ALDH3A1 inhibition by benzimidazole analogues increase mafosfamide sensitivity in cancer cells.

description: Small molecule binding data for protein Aldehyde dehydrogenase 3A1 (ALDH3A1), Uniprot P30838
DOI: 10.7270/q2ws8vnh
title: BindingDB Entry 50043236: Hydantoin based inhibitors of MMP13--discovery of AZD6605.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Matrix metalloproteinase-12 (MMP12), and Matrix metalloproteinase-14 (MMP14), Uniprot P05177, P10635, P11712, P33261, P39900, and P50281
DOI: 10.7270/q2x92cnx
title: BindingDB Entry 50042756: Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2zs2xsg
title: BindingDB Entry 50042234: Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II receptor antagonists.

description: Small molecule binding data for protein Urotensin II receptor, Uniprot Q9UKP6
DOI: 10.7270/q2125v0v
title: BindingDB Entry 50042763: On dihydroorotate dehydrogenases and their inhibitors and uses.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH) and Dihydroorotate dehydrogenase, Uniprot Q02127 and Q63707
DOI: 10.7270/q2154jn9
title: BindingDB Entry 50044880: Liver X receptor (LXR) partial agonists: biaryl pyrazoles and imidazoles displaying a preference for LXRß.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q23n251c
title: BindingDB Entry 50045338: Synthesis, biological evaluation, and molecular modeling of new 3-(cyclopentyloxy)-4-methoxybenzaldehyde O-(2-(2,6-dimethylmorpholino)-2-oxoethyl) Oxime (GEBR-7b) related phosphodiesterase 4D (PDE4D) inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q07343 and Q08499
DOI: 10.7270/q24q7wcf
title: BindingDB Entry 50042762: Selective 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitors: dissecting the function and pharmacology of PDK1.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1 and Serine/threonine-protein kinase mTOR, Uniprot O15530 and P42345
DOI: 10.7270/q26974wj
title: BindingDB Entry 50042240: Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303 and P23795
DOI: 10.7270/q27082xr
title: BindingDB Entry 50043845: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase.

description: Small molecule binding data for protein 12-Lipoxygenase (12-LOX), 15-Lipoxygenase-2 (15-LOX-2), 5-lipoxygenase/FLAP, Arachidonate 12-lipoxygenase, and Arachidonate 15-lipoxygenase, Uniprot O15296, P09917, P16050, P18054, and P39655
DOI: 10.7270/q27d2wsr
title: BindingDB Entry 50045337: Design, synthesis, and structure-activity relationship studies of a series of [4-(4-carboxamidobutyl)]-1-arylpiperazines: insights into structural features contributing to dopamine D3 versus D2 receptor subtype selectivity.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q28p624w
title: BindingDB Entry 50044878: Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent.

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 3 (PDE3), Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, Q01064, Q13946, Q14432, and Q9Y233
DOI: 10.7270/q2b27wmw
title: BindingDB Entry 50042239: QSAR analyses of conformationally restricted 1,5-diaryl pyrazoles as selective COX-2 inhibitors: application of connection table representation of ligands.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2br8tns
title: BindingDB Entry 50043844: Structure-based design, synthesis and biological evaluation of diphenylmethylamine derivatives as novel Akt1 inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1, Inhibitor of NF-kappa-B kinase (IKK), RAF serine/threonine protein kinase, Serine/threonine-protein kinase Aurora, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase SYK, Uniprot O14920, O14965, O60674, P15056, P31749, and P43405
DOI: 10.7270/q2c53nhg
title: BindingDB Entry 50045336: 4-Substituted quinazoline derivatives as novel EphA2 receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Ephrin receptor, Uniprot P29317
DOI: 10.7270/q2cv4k5f
title: BindingDB Entry 50043240: Synthesis and in vitro cellular uptake of 11C-labeled 5-aminolevulinic acid derivative to estimate the induced cellular accumulation of protoporphyrin IX.

description: Small molecule binding data for protein Porphobilinogen synthase, Uniprot P13716
DOI: 10.7270/q2ft8ncr
title: BindingDB Entry 50042238: A two-state homology model of the hERG K+ channel: application to ligand binding.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2fx7c4z
title: BindingDB Entry 50045343: Novel multi-targeting anthra[2,3-b]thiophene-5,10-diones with guanidine-containing side chains: interaction with telomeric G-quadruplex, inhibition of telomerase and topoisomerase I and cytotoxic properties.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2gh9kdz
title: BindingDB Entry 50043843: Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2gx4d33
title: BindingDB Entry 50044348: Identification of the first potent, selective and bioavailable PPARa antagonist.

description: Small molecule binding data for protein Estradiol receptor beta (ERβ), Glucocorticoid receptor, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta (PPAR delta), and Thyroid Hormone Receptor (TR-beta), Uniprot F1D8N7, P04150, P10828, P37231, Q03181, Q07869, and Q92731
DOI: 10.7270/q2h70hfq
title: BindingDB Entry 50044884: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2hm59v9
title: BindingDB Entry 50043239: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, Serine/threonine-protein kinase PLK3, Serine/threonine-protein kinase PLK4, and Tyrosine-protein kinase receptor FLT3, Uniprot O00444, O14965, P05177, P10635, P11712, P33261, P36888, P53350, Q96GD4, Q9H4B4, and Q9NYY3
DOI: 10.7270/q2kk9d3g
title: BindingDB Entry 50042237: Influence of acid surrogates toward potency of VLA-4 antagonist.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2kp83v8
title: BindingDB Entry 50045342: Some molecular targets for antihyperlipidemic drug research.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2m90b47
title: BindingDB Entry 50043842: Discovery of a new binding site on human choline kinasea1: design, synthesis, crystallographic studies, and biological evaluation of asymmetrical bispyridinium derivatives.

description: Small molecule binding data for protein Choline kinase alpha and Choline/ethanolamine kinase, Uniprot P35790 and Q9Y259
DOI: 10.7270/q2mp54td
title: BindingDB Entry 50044347: Benzylpiperidine variations on histamine H3 receptor ligands for improved drug-likeness.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q2ms3v4d
title: BindingDB Entry 50042766: Synthesis, evaluation and absolute configuration assignment of novel dihydropyrimidin-2-ones as picomolar sodium iodide symporter inhibitors.

description: Small molecule binding data for protein Sodium/iodide cotransporter, Uniprot Q63008
DOI: 10.7270/q2n01840
title: BindingDB Entry 50044883: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of pyrrolopiperidinone acetic acids as CRTh2 antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2n87c65
title: BindingDB Entry 50043238: Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Histone deacetylase 3/NCoR1, and Nuclear receptor corepressor 1, Uniprot O15379, O75376, P10635, P11712, and P33261
DOI: 10.7270/q2qc04sw
title: BindingDB Entry 50042236: Structure-driven HtL: design and synthesis of novel aminoindazole inhibitors of c-Jun N-terminal kinase activity.

description: Small molecule binding data for protein c-Jun N-terminal kinase, JNK, Uniprot P45983
DOI: 10.7270/q2qf8vj5
title: BindingDB Entry 50045341: Evaluation of the cyclopentane-1,2-dione as a potential bio-isostere of the carboxylic acid functional group.

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2rf5wk6
title: BindingDB Entry 50044346: Towards the discovery of drug-like epigallocatechin gallate analogs as Hsp90 inhibitors.

description: Small molecule binding data for protein HSP90 and hnRNPA2/B1, Uniprot P08238
DOI: 10.7270/q2rj4kvq
title: BindingDB Entry 50042765: Synthesis and discovery of novel piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P22303 and P81908
DOI: 10.7270/q2rn39g4
title: BindingDB Entry 50044882: Norbornane-based nucleoside and nucleotide analogues locked in North conformation.

description: Small molecule binding data for protein Phosphatidylinositol 4-kinase type 2-alpha, Uniprot Q9BTU6
DOI: 10.7270/q2s183w1
title: BindingDB Entry 50043237: DXR inhibition by potent mono- and disubstituted fosmidomycin analogues.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P9WNS1
DOI: 10.7270/q2v12639
title: BindingDB Entry 50042235: Novel phomactin analogues as PAF receptor ligands.

description: Small molecule binding data for protein Platelet activating factor receptor, Uniprot P25105
DOI: 10.7270/q2v69m7f
title: BindingDB Entry 50045340: Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Thymidylate synthase, Uniprot P00374 and P04818
DOI: 10.7270/q2w66nbc
title: BindingDB Entry 50044345: Design, synthesis, docking and anti-inflammatory evaluation of novel series of benzofuran based prodrugs.

description: Small molecule binding data for protein COX-1 and Cyclooxygenase, Uniprot P35354 and Q63921
DOI: 10.7270/q2w95bj0
title: BindingDB Entry 50042764: Novel leucine ureido derivatives as inhibitors of aminopeptidase N (APN).

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15144 and P15145
DOI: 10.7270/q2wd425d
title: BindingDB Entry 50044881: Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT1A receptor functional profile.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Serotonin (5-HT) receptor, Uniprot P14842, P19327, P34969, P50406, and P61169
DOI: 10.7270/q2zw1nk4
title: BindingDB Entry 50045339: Discovery of furan-2-carbohydrazides as orally active glucagon receptor antagonists.

description: Small molecule binding data for protein Glucagon receptor, Glucagon-like peptide 1 receptor (GLP-1), and Voltage-gated potassium channel, Uniprot P30082, P43220, P47871, and Q12809
DOI: 10.7270/q20003nc
title: BindingDB Entry 50044352: 3-Substituted-N-(4-hydroxynaphthalen-1-yl)arylsulfonamides as a novel class of selective Mcl-1 inhibitors: structure-based design, synthesis, SAR, and biological evaluation.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, BCL-W, Bcl-2-related protein A1, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, Q07820, Q16548, and Q92843
DOI: 10.7270/q2028sxz
title: BindingDB Entry 50042771: Development of silicon-containing bis-phenol derivatives as androgen receptor antagonists: selectivity switching by C/Si exchange.

description: Small molecule binding data for protein Androgen Receptor and Vitamin D receptor, Uniprot P10275, P11473, and P19091
DOI: 10.7270/q2057hjc
title: BindingDB Entry 50044888: Identification of novel thiadiazoloacrylamide analogues as inhibitors of dengue-2 virus NS2B/NS3 protease.

description: Small molecule binding data for protein Genome polyprotein