cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2q52qf4
title: BindingDB Entry 50038099: Glycosidase profiling with immobilised glycosidase-inhibiting iminoalditols--a proof-of-concept study.

description: Small molecule binding data for protein Beta-glucosidase, Uniprot P12614
DOI: 10.7270/q2qj7jbd
title: BindingDB Entry 50039832: Multifunctional mercapto-tacrine derivatives for treatment of age-related neurodegenerative diseases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2qr4xvm
title: BindingDB Entry 50037157: Synthesis, characterization, and biological properties of 8-azido- and 8-amino-substituted 2',5'-oligoadenylates.

description: Small molecule binding data for protein RNase L, Uniprot Q05921
DOI: 10.7270/q2sx6f2m
title: BindingDB Entry 50038106: Development of peptidomimetics with a vinyl sulfone warhead as irreversible falcipain-2 inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin L1, and Falcipain-2, Uniprot P07711 and P07858
DOI: 10.7270/q2tb17tj
title: BindingDB Entry 50039017: Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin.

description: Small molecule binding data for protein Acidic mammalian chitinase (AMCase), Uniprot Q9BZP6
DOI: 10.7270/q2tb17zb
title: BindingDB Entry 50039839: The synthesis of 2,5-bis(4-amidinophenyl)thiophene derivatives providing submicromolar-range inhibition of the botulinum neurotoxin serotype A metalloprotease.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2v9893k
title: BindingDB Entry 50039831: Tyrosyl-DNA phosphodiesterase 1 inhibitor from an anamorphic fungus.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2xp75sx
title: BindingDB Entry 50038105: Synthesis and biological evaluation of NO-donor-tacrine hybrids as hepatoprotective anti-Alzheimer drug candidates.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2z320kq
title: BindingDB Entry 50039016: Benzimidazole derivatives as new serotonin 5-HT6 receptor antagonists. Molecular mechanisms of receptor inactivation.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), and HTR6, Uniprot P34969, P50406, and Q9R1C8
DOI: 10.7270/q2z320p2
title: BindingDB Entry 50039838: Selective inhibition of human type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3) by baccharin, a component of Brazilian propolis.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C1, Aldo-keto reductase family 1 member C2, and Aldo-keto reductase family 1 member C4 (AK1C4), Uniprot P17516, P42330, P52895, and Q04828
DOI: 10.7270/q20v8dqn
title: BindingDB Entry 50039031: A single step purification for autolytic zinc proteinases.

description: Small molecule binding data for protein Stromelysin-1, Uniprot P08254
DOI: 10.7270/q21g0n4d
title: BindingDB Entry 50038112: Optimization of 1H-tetrazole-1-alkanenitriles as potent orally bioavailable growth hormone secretagogues.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Ghrelin receptor, Uniprot P05177, P08684, P10635, P11712, P33261, and Q92847
DOI: 10.7270/q21v5g07
title: BindingDB Entry 50039845: Discovery and optimization of benzenesulfonanilide derivatives as a novel class of 11ß-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845
DOI: 10.7270/q2319wm4
title: BindingDB Entry 50037162: Identification of (3R)-7-hydroxy-N-((1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)- 3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro- 3-isoquinolinecarboxamide as a novel potent and selective opioid kappa receptor antagonist.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, P41143, P41144, and P41145
DOI: 10.7270/q2571cw5
title: BindingDB Entry 50038111: 2-Alkyl-4-aryl-pyrimidine fused heterocycles as selective 5-HT2A antagonists.

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/q25m66nn
title: BindingDB Entry 50039022: Neuraminidase inhibitory activities of flavonols isolated from Rhodiola rosea roots and their in vitro anti-influenza viral activities.

description: Small molecule binding data for protein Sialidase, Uniprot P10481
DOI: 10.7270/q25m66qj
title: BindingDB Entry 50039844: Appraisal of GABA and PABA as linker: design and synthesis of novel benzamide based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 8, and NAD-Dependent Deacetylase Sirtuin-1, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q969S8, Q96EB6, Q9BY41, and Q9UBN7
DOI: 10.7270/q26q1z0p
title: BindingDB Entry 50037161: Dual protein farnesyltransferase-geranylgeranyltransferase-I inhibitors as potential cancer chemotherapeutic agents.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT), Uniprot P49354, P49356, and P53609
DOI: 10.7270/q28c9x65
title: BindingDB Entry 50039029: Spare interactions of highly potent [Arg(14),Lys(15)]nociceptin for cooperative induction of ORL1 receptor activation.

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q29024nb
title: BindingDB Entry 50038110: A new class of bradykinin B1 receptor antagonists with high oral bioavailability and minimal PXR activity.

description: Small molecule binding data for protein Bradykinin B1 receptor, Uniprot P46663
DOI: 10.7270/q29c6zfw
title: BindingDB Entry 50039843: A variant peptide of buffalo colostrumß-lactoglobulin inhibits angiotensin I-converting enzyme activity.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P47820
DOI: 10.7270/q2bg2pq0
title: BindingDB Entry 50037160: Structure-activity relationship comparison of (S)-2beta-substituted 3alpha-(bis[4-fluorophenyl]methoxy)tropanes and (R)-2beta-substituted 3beta-(3,4-dichlorophenyl)tropanes at the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Muscarinic acetylcholine receptor M1, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P08482, P23977, and P31652
DOI: 10.7270/q2d50nx1
title: BindingDB Entry 50039028: Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones.

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA), Uniprot P04035
DOI: 10.7270/q2dr2wbx
title: BindingDB Entry 50038109: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Voltage-gated potassium channel, Uniprot P23975, P31645, Q01959, and Q12809
DOI: 10.7270/q2f47q5m
title: BindingDB Entry 50039842: Inverse Virtual Screening allows the discovery of the biological activity of natural compounds.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Protein kinase C alpha type, and Protein kinase C theta type, Uniprot O15530, P17252, and Q04759
DOI: 10.7270/q2g73ffq
title: BindingDB Entry 50037159: New pyrimido[5,4-b]indoles as ligands for alpha(1)-adrenoceptor subtypes.

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/q2hh6kwd
title: BindingDB Entry 50038116: Conception of myeloperoxidase inhibitors derived from flufenamic acid by computational docking and structure modification.

description: Small molecule binding data for protein Myeloperoxidase (MPO), Uniprot P05164
DOI: 10.7270/q2hx1dm0
title: BindingDB Entry 50039027: Synthesis and biological evaluation of the metabolites of 2-(1-{3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)-5-methyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, Prothrombin, and Tissue-type plasminogen activator, Uniprot P00734, P00742, P00747, and P00750
DOI: 10.7270/q2jd4xnx
title: BindingDB Entry 50038108: Acylpyrogallols as inhibitors of antiapoptotic Bcl-2 proteins.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl2-antagonist of cell death (BAD), and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07820, and Q92934
DOI: 10.7270/q2jw8fx2
title: BindingDB Entry 50039841: Discovery, design and synthesis of Y-shaped peroxisome proliferator-activated receptord agonists as potent anti-obesity agents in vivo.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2k07512
title: BindingDB Entry 50037166: Computer-aided selection of potential antihypertensive compounds with dual mechanism of action.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Neprilysin, and Neutral Endopeptidase (NEP), Uniprot P07861, P08473, P12821, and P47820
DOI: 10.7270/q2m0465f
title: BindingDB Entry 50037158: Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7).

description: Small molecule binding data for protein 5-HT5, 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 7 (5HT7), Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin (5-HT) receptor, Serotonin 2 (5-HT2) receptor, and Serotonin 3 (5-HT3) receptor, Uniprot P08908, P08913, P14416, P28223, P28335, P30966, P32304, P32305, P34969, P35348, P41595, P46098, P47898, and P50406
DOI: 10.7270/q2n58n78
title: BindingDB Entry 50038115: Truncation and non-natural amino acid substitution studies on HTLV-I protease hexapeptidic inhibitors.

description: Small molecule binding data for protein Human T-cell leukemia virus type I protease, Uniprot P10274
DOI: 10.7270/q2nk3g09
title: BindingDB Entry 50039026: Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R).

description: Small molecule binding data for protein Asialoglycoprotein receptor 1, Uniprot P07306
DOI: 10.7270/q2p55pb6
title: BindingDB Entry 50038107: Lipophilic modifications to dinucleoside polyphosphates and nucleotides that confer antagonist properties at the platelet P2Y12 receptor.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Purinergic receptor P2Y12, Purinergic receptor P2Y2, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P47900, Q15077, and Q9H244
DOI: 10.7270/q2sb46p5
title: BindingDB Entry 50039025: Dibenzazecine scaffold rebuilding--is the flexibility always essential for high dopamine receptor affinities?

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine D1B, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P19020, P21728, P21917, P21918, P25115, P30729, and P35462
DOI: 10.7270/q2sf2x6v
title: BindingDB Entry 50039847: Discovery of novel indane derivatives as liver-selective thyroid hormone receptorß (TRß) agonists for the treatment of dyslipidemia.

description: Small molecule binding data for protein Thyroid Hormone Receptor (TR-beta) and Thyroid hormone receptor, Uniprot F1D8N7, P10827, and P10828
DOI: 10.7270/q2vh5pjw
title: BindingDB Entry 50037156: Conformationally constrained analogues of diacylglycerol. 19. Synthesis and protein kinase C binding affinity of diacylglycerol lactones bearing an N-hydroxylamide side chain.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2wq04n3
title: BindingDB Entry 50038113: Biphenyl versus phenylpyridazine derivatives: the role of the heterocycle in a series of acyl-CoA:cholesterol acyl transferase inhibitors.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2x34zc2
title: BindingDB Entry 50039024: Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression.

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/q2x34zhv
title: BindingDB Entry 50039846: The design, synthesis, and biological evaluation of PIM kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P05177, P08684, P10632, P10635, P10721, P11309, P11712, P33261, P35968, P36888, Q86V86, and Q9P1W9
DOI: 10.7270/q2z89d5p
title: BindingDB Entry 50037163: Design and synthesis of poly ADP-ribose polymerase-1 inhibitors. 2. Biological evaluation of aza-5[H]-phenanthridin-6-ones as potent, aqueous-soluble compounds for the treatment of ischemic injuries.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q20g3m01
title: BindingDB Entry 50038120: Constraining the amide bond in N-sulfonylated dipeptide VLA-4 antagonists.

description: Small molecule binding data for protein Integrin alpha-4, Uniprot P13612
DOI: 10.7270/q20z749m
title: BindingDB Entry 50039853: Synthesis and in vitro characterization of trans- and cis-[(18)F]-4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]-3-fluoropiperidine-1-carboxylates as new potential PET radiotracer candidates for the NR2B subtype N-methyl-D-aspartate receptor.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot Q00960
DOI: 10.7270/q2222vhr
title: BindingDB Entry 50037171: Novel bioactive and stable neurotensin peptide analogues capable of delivering radiopharmaceuticals and molecular beacons to tumors.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P30989
DOI: 10.7270/q23n24b0
title: BindingDB Entry 50039038: Synthesis and antitumor activity of a novel series of 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate receptors and the proton-coupled folate transporter over the reduced folate carrier for cellular entry.

description: Small molecule binding data for protein GAR transformylase, Glycinamide ribonucleotide formyltransferase (GARFTase), and Proton-coupled folate transporter, Uniprot P22102, Q64737, and Q96NT5
DOI: 10.7270/q2474bqb
title: BindingDB Entry 50038119: Discovery of novel inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q24m95gt
title: BindingDB Entry 50039030: 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 2, Uniprot P49137
DOI: 10.7270/q24m95k5
title: BindingDB Entry 50039852: Automated generation of turn mimetics: proof of concept study for the MC4 receptor.

description: Small molecule binding data for protein Melanocortin receptor 4, Uniprot P32245
DOI: 10.7270/q25t3m6q
title: BindingDB Entry 50037169: Tethered dimers as NAD synthetase inhibitors with antibacterial activity.

description: Small molecule binding data for protein NH(3)-dependent NAD(+) synthetase, Uniprot P08164
DOI: 10.7270/q27d2w3s
title: BindingDB Entry 50039037: 3-(3-Aryloxyaryl)imidazo[1,2-a]pyridine sulfones as liver X receptor agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q28053gh
title: BindingDB Entry 50038118: Evaluation of a series of bicyclic CXCR2 antagonists.

description: Small molecule binding data for protein Interleukin-8 receptors, CXCR2, Uniprot P25025
DOI: 10.7270/q28c9x82
title: BindingDB Entry 50039851: Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.

description: Small molecule binding data for protein Prostaglandin D Synthase, Uniprot O60760
DOI: 10.7270/q29g5nkm
title: BindingDB Entry 50037168: Synthesis and structure-activity studies of novel orally active non-terpenoic 2,3-oxidosqualene cyclase inhibitors.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449
DOI: 10.7270/q2br8t1q
title: BindingDB Entry 50038125: Kinase-likeness and kinase-privileged fragments: toward virtual polypharmacology.

description: Small molecule binding data for protein PAK1, Uniprot Q13153
DOI: 10.7270/q2c53mt3
title: BindingDB Entry 50039036: Synthetic studies and pharmacological evaluations on the MDMA ('Ecstasy') antagonist nantenine.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Beta-3 adrenergic receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Histamine receptor (H4), Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P07550, P08172, P08173, P08588, P08913, P11229, P13945, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P25100, P28221, P28222, P28223, P28335, P28566, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P46098, P47898, P50406, Q01959, Q4W594, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2cr5v6j
title: BindingDB Entry 50038117: Selective COX-2 inhibitors. Part 2: synthesis and biological evaluation of 4-benzylideneamino- and 4-phenyliminomethyl-benzenesulfonamides.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2d50p0b
title: BindingDB Entry 50039850: Synthesis and evaluation of¿-lactam analogs of PGE2 as EP4 and EP2/EP4 agonists.

description: Small molecule binding data for protein Prostanoid EP1 Receptor, Prostanoid EP2 Receptor, Prostanoid EP2 receptor, Prostanoid EP3 Receptor, Prostanoid EP4 Receptor, and Prostanoid EP4 receptor, Uniprot P30557, P32240, P35375, P43114, Q62053, and Q62928
DOI: 10.7270/q2f76d9b
title: BindingDB Entry 50037167: Synthesis and in vitro characterization of 1-(4-aminofurazan-3-yl)-5-dialkylaminomethyl-1H-[1,2,3]triazole-4-carboxylic acid derivatives. A new class of selective GSK-3 inhibitors.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and Glycogen synthase kinase-3, Uniprot P20248, P24941, P49841, and P78396
DOI: 10.7270/q2gh9jtx
title: BindingDB Entry 50038124: Discovery of brivanib alaninate ((S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-yl)2-aminopropanoate), a novel prodrug of dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 kinase inhibitor (BMS-540215

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2gx4cjh
title: BindingDB Entry 50039035: Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology.

description: Small molecule binding data for protein mu/kappa opioid receptor, Uniprot P41144 and P97266
DOI: 10.7270/q2hx1dqb
title: BindingDB Entry 50039849: Kinase inhibitory potencies and in vitro antiproliferative activities of N-10 substituted pyrrolo[2,3-a]carbazole derivatives.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q86V86
DOI: 10.7270/q2mp547s
title: BindingDB Entry 50039034: Novel enoyl-ACP reductase (FabI) potential inhibitors of Escherichia coli from Chinese medicine monomers.

description: Small molecule binding data for protein Enoyl-ACP Reductase (FabI), Uniprot P0AEK4
DOI: 10.7270/q2np25gh
title: BindingDB Entry 50039848: Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase.

description: Small molecule binding data for protein N-acylethanolamine-hydrolyzing acid amidase (NAAA), Uniprot Q5KTC7
DOI: 10.7270/q2pr7wrp
title: BindingDB Entry 50037165: A conformationally locked analogue of the anti-HIV agent stavudine. An important correlation between pseudorotation and maximum amplitude.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2qz2btf
title: BindingDB Entry 50038122: Discovery of small molecule benzimidazole antagonists of the chemokine receptor CXCR3.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2rf5vzq
title: BindingDB Entry 50039033: Structure-activity relationships of N-substituted ligands for the alpha7 nicotinic acetylcholine receptor.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P09483, P12390, P17787, P30926, P32297, P36544, P43681, and Q05941