cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2jh3n33
title: BindingDB Entry 50038675: 2-Aminobenzophenones as a novel class of bradykinin B1 receptor antagonists.

description: Small molecule binding data for protein Bradykinin B1 receptor and Voltage-gated potassium channel, Uniprot P46663 and Q12809
DOI: 10.7270/q2kd1zm2
title: BindingDB Entry 50036885: Adenosine deaminase inhibitors: synthesis and biological evaluation of unsaturated, aromatic, and oxo derivatives of (+)-erythro-9-(2'S-hydroxy-3'R-nonyl)adenine [(+)-EHNA].

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2kw5gvr
title: BindingDB Entry 50037795: Discovery of 2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(5- methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobut-1-enylamino}benzamide (SCH 527123): a potent, orally bioavailable CXCR2/CXCR1 receptor antagonist.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1) and Interleukin-8 receptors, CXCR2, Uniprot P25024 and P25025
DOI: 10.7270/q2n87bc0
title: BindingDB Entry 50036004: Synthesis and antiallergic activity of 11-(aminoalkylidene)-6,11-dihydrodibenz[b,e]oxepin derivatives.

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P31389
DOI: 10.7270/q2n87bp1
title: BindingDB Entry 50038682: Initial SAR studies on apamin-displacing 2-aminothiazole blockers of calcium-activated small conductance potassium channels.

description: Small molecule binding data for protein Small conductance calcium-activated potassium channel protein 1 (KCa2.1), Small conductance calcium-activated potassium channel protein 2, and Small conductance calcium-activated potassium channel protein 3 (KCa2.3), Uniprot Q92952, Q9H2S1, and Q9UGI6
DOI: 10.7270/q2pz59sd
title: BindingDB Entry 50039569: Synthesis, modeling and functional activity of substituted styrene-amides as small-molecule CXCR7 agonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 7 (CXCR7), Uniprot P25106
DOI: 10.7270/q2q52q9b
title: BindingDB Entry 50036884: New tacrine-huperzine A hybrids (huprines): highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276, P22303, and P23795
DOI: 10.7270/q2qn67kg
title: BindingDB Entry 50037794: Discovery of N-[(1S,2S)-3-(4-Chlorophenyl)-2- (3-cyanophenyl)-1-methylpropyl]-2-methyl-2- {[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist for the treatment of obesity.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2r2120b
title: BindingDB Entry 50036011: Conformational analysis of dopamine D-2 receptor antagonists of the benzamide series in relation to a recently proposed D-2 receptor-interaction model.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2s1833q
title: BindingDB Entry 50036003: Cyclic RGD peptide analogues as antiplatelet antithrombotics.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2s183c9
title: BindingDB Entry 50038681: Synthesis and activity of 1-(3-amino-1-phenylpropyl)indolin-2-ones: a new class of selective norepinephrine reuptake inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent noradrenaline transporter, Uniprot P23975 and P31645
DOI: 10.7270/q2tq62h4
title: BindingDB Entry 50039568: Tyrosine modified analogues of thea4ß7 integrin inhibitor biotin-R8ERY prepared via Click Chemistry: synthesis and biological evaluation.

description: Small molecule binding data for protein Integrin alpha-4/beta-7, Uniprot P26011 and Q00651
DOI: 10.7270/q2tt4rpx
title: BindingDB Entry 50036883: 5-Substituted N(4)-hydroxy-2'-deoxycytidines and their 5'-monophosphates: synthesis, conformation, interaction with tumor thymidylate synthase, and in vitro antitumor activity.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2vd708r
title: BindingDB Entry 50037793: Engineering of a VPAC2 receptor peptide agonist to impart dipeptidyl peptidase IV stability and enhance in vivo glucose disposal.

description: Small molecule binding data for protein Pituitary adenylate cyclase-activating polypeptide type I receptor, VIPR1, and Vasoactive intestinal polypeptide receptor 2, Uniprot P32241, P41586, and P41587
DOI: 10.7270/q2vq33pz
title: BindingDB Entry 50039560: Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2ws8tvs
title: BindingDB Entry 50036002: Studies on neurokinin antagonists. 1. The design of novel tripeptides possessing the glutaminyl-D-tryptophylphenylalanine sequence as substance P antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P30547
DOI: 10.7270/q2ws8v4s
title: BindingDB Entry 50038680: Synthesis and biological affinity of new imidazo- and indol-arylpiperazine derivatives: further validation of a pharmacophore model for alpha(1)-adrenoceptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Serotonin (5-HT) receptor, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P19327, P28223, and P31645
DOI: 10.7270/q2zg6t7g
title: BindingDB Entry 50039567: Synthesis and structure elucidation of novel fused 1,2,4-triazine derivatives as potent inhibitors targeting CYP1A1 activity.

description: Small molecule binding data for protein Cytochrome P450 1A1, Uniprot P00185
DOI: 10.7270/q2zk5hc6
title: BindingDB Entry 50036882: Chiral derivatives of 2-cyclohexylideneperhydro-4,7-methanoindenes, a novel class of nonsteroidal androgen receptor ligand: synthesis, X-ray analysis, and biological activity.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q20k29g7
title: BindingDB Entry 50038687: Aminostyrylbenzofuran derivatives as potent inhibitors for Abeta fibril formation.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q22808mc
title: BindingDB Entry 50039574: Cholinestrase inhibitory effects of geranylated flavonoids from Paulownia tomentosa fruits.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P22303 and Q9N1N9
DOI: 10.7270/q22b8zqq
title: BindingDB Entry 50036891: Carbonic anhydrase inhibitors: water-soluble 4-sulfamoylphenylthioureas as topical intraocular pressure-lowering agents with long-lasting effects.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, and Carbonic anhydrase 2, Uniprot P00915, P00918, and Q95323
DOI: 10.7270/q23b60r4
title: BindingDB Entry 50036016: 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Arachidonate 5-lipoxygenase, and Cysteinyl leukotriene receptor 1, Uniprot P09917, P12527, P48999, and Q2NNR5
DOI: 10.7270/q23b612k
title: BindingDB Entry 50038694: 2-Phenyl-imidazo[1,2-a]pyridine compounds containing hydrophilic groups as potent and selective ligands for peripheral benzodiazepine receptors: synthesis, binding affinity and electrophysiological studies.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q25q4wxs
title: BindingDB Entry 50037807: Design and synthesis of a series of novel pyrazolopyridines as HIF-1alpha prolyl hydroxylase inhibitors.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q26111b3
title: BindingDB Entry 50039573: Design, synthesis and evaluation of isaindigotone derivatives as dual inhibitors for acetylcholinesterase and amyloid beta aggregation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2639qd0
title: BindingDB Entry 50036890: Design, synthesis, and monoamine transporter binding site affinities of methoxy derivatives of indatraline.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2736rjc
title: BindingDB Entry 50036015: Isopropyl and phenyl esters of 3 beta-(4-substituted phenyl)tropan-2 beta-carboxylic acids. Potent and selective compounds for the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2736rvd
title: BindingDB Entry 50038693: Design, synthesis, and structure-activity relationship of novel opioid kappa-agonists.

description: Small molecule binding data for protein Kappa-type opioid receptor (KOR) and mu/kappa opioid receptor, Uniprot P33534 and P41144
DOI: 10.7270/q2833sn9
title: BindingDB Entry 50036007: Hydantoin bioisosteres. In vivo active spiro hydroxy acetic acid aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase (AR), Uniprot P15121
DOI: 10.7270/q29g5nnh
title: BindingDB Entry 50037806: Carbonic anhydrase inhibitors. DNA cloning, characterization, and inhibition studies of the human secretory isoform VI, a new target for sulfonamide and sulfamate inhibitors.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 6 (CA-VI), and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P23280, P35218, Q16790, and Q9Y2D0
DOI: 10.7270/q29s1s24
title: BindingDB Entry 50039572: Development of a new class of aromatase inhibitors: design, synthesis and inhibitory activity of 3-phenylchroman-4-one (isoflavanone) derivatives.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q29w0g5d
title: BindingDB Entry 50036888: Synthesis and transporter binding properties of bridged piperazine analogues of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909).

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2bv7h7b
title: BindingDB Entry 50036014: Synthesis of 3-[(2,3-dihydro-1,1,3-trioxo-1,2-benzisothiazol-2-yl)alkyl] 1,4-dihydropyridine-3,5-dicarboxylate derivatives as calcium channel modulators.

description: Small molecule binding data for protein Voltage-gated L-type calcium channel alpha-1C subunit, Uniprot P15381
DOI: 10.7270/q2bv7hkt
title: BindingDB Entry 50038692: Inhibition of Candida albicans isocitrate lyase activity by sesterterpene sulfates from the tropical sponge Dysidea sp.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot Q9P8Q7
DOI: 10.7270/q2dn45rb
title: BindingDB Entry 50036896: Molecular docking reveals a novel binding site model for fentanyl at the mu-opioid receptor.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2f76ddp
title: BindingDB Entry 50037805: Synthesis and biological evaluation of novel 1-deoxy-1-[6-[((hetero)arylcarbonyl)hydrazino]- 9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide derivatives as useful templates for the development of A2B adenosine receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2fj2hsf
title: BindingDB Entry 50039571: Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 2, and Carbonic anhydrase 7, Uniprot P00915, P00918, P43166, and Q8N1Q1
DOI: 10.7270/q2gh9jks
title: BindingDB Entry 50036013: Electrophilic opioid ligands. Oxygen tethered alpha-methylene-gamma-lactone, acrylate, isothiocyanate, and epoxide derivatives of 6 beta-naltrexol.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2gm887n
title: BindingDB Entry 50038691: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase SYK and Tyrosine-protein kinase ZAP-70, Uniprot P43403 and P43405
DOI: 10.7270/q2jd4xh4
title: BindingDB Entry 50036895: Protease inhibitors: current status and future prospects.

description: Small molecule binding data for protein ADAM17, Angiotensin-converting enzyme, Calpain-2 (m-Calpain), Calpain1/2, Caspase-1, Caspase-3, Cathepsin (B and K), Cathepsin D, Cathepsin L1, Coagulation factor X/antithrombin III, Collagenase, Complement C1r subcomponent, Human immunodeficiency virus type 1 protease, Human rhinovirus A protease, Kallikrein-1 (KLK1), Leukocyte elastase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-7 (MMP7), Neutral Endopeptidase (NEP), Papain, Pepsin A, Plasma kallikrein (KLKB1), Plasmepsin 2, Plasmepsin I, Plasminogen, Prothrombin, Renin, Stromelysin-1, Trypsin II, and Trypsin-1, Uniprot P00734, P00736, P00742, P00747, P00784, P00791, P00797, P03952, P03956, P06870, P07339, P07384, P07477, P07711, P07858, P07861, P08246, P08253, P08254, P09237, P12821, P14780, P17655, P22894, P29466, P39898, P42574, P45452, P46925, P78536, and Q29463
DOI: 10.7270/q2k0753z
title: BindingDB Entry 50037804: SAR of a series of 5,6-dihydro-(9H)-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridines as potent inhibitors of human eosinophil phosphodiesterase.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P0DMS8, P27815, P29274, P30542, Q07343, Q08493, and Q08499
DOI: 10.7270/q2k64k2d
title: BindingDB Entry 50039570: Structure-activity relationship of selected polyphenol derivatives as inhibitors of Bax/Bcl-xL interaction.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2m9098m
title: BindingDB Entry 50036012: 2-Alkynyl derivatives of adenosine and adenosine-5'-N-ethyluronamide as selective agonists at A2 adenosine receptors.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2mc90xh
title: BindingDB Entry 50038690: Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.

description: Small molecule binding data for protein Nociceptin/Orphanin FQ, NOP receptor, Uniprot P35370
DOI: 10.7270/q2nz88n1
title: BindingDB Entry 50039577: Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, 5'-AMP-activated protein kinase catalytic subunit alpha-1, AKT/p21CIP1, Activin receptor type-1B, CAMK2A, CaM kinase I delta, Casein kinase I isoform delta, Cyclin-Dependent Kinase 1 (CDK1), Death-associated protein kinase 3, EPHB1, Epidermal growth factor receptor, Glycogen synthase kinase-3, Insulin receptor, Interleukin-1 receptor-associated kinase 4, Ketohexokinase, Mitogen-activated protein kinase 13 (MAPK13), Neurotrophic tyrosine kinase receptor, Platelet-derived growth factor receptor beta, Protein kinase C theta type, Rho-associated protein kinase, Ribosomal protein S6 kinase alpha 3, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase CHK2, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase Nek2, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase PLK3, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, VEGF-receptor 2 and tyrosine-protein kinase SRC, cAMP-dependent protein kinase (PKA), and p21-Activated kinase 3 (PAK3), Uniprot O14757, O14965, O15264, O43293, O60674, O75914, O96017, P00519, P00533, P04629, P06213, P06493, P09619, P12931, P14635, P17612, P31749, P36896, P48730, P49841, P50053, P51812, P51955, P54619, P54762, Q04759, Q13131, Q13464, Q8IU85, Q9H4B4, Q9NWZ3, Q9P1W9, Q9P289, Q9UQM7, and Q9Y478
DOI: 10.7270/q2p55p7v
title: BindingDB Entry 50036894: D-Amino acid scan of gamma-melanocyte-stimulating hormone: importance of Trp(8) on human MC3 receptor selectivity.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33032, and P41968
DOI: 10.7270/q2pn96f3
title: BindingDB Entry 50037803: Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter.

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/q2q52qh1
title: BindingDB Entry 50038697: Hedgehog/GLI-mediated transcriptional inhibitors from Zizyphus cambodiana.

description: Small molecule binding data for protein Zinc finger protein GLI1, Uniprot P08151
DOI: 10.7270/q2r2129c
title: BindingDB Entry 50038689: Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2sq91cr
title: BindingDB Entry 50039576: 3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors.

description: Small molecule binding data for protein Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase, Uniprot O00311 and Q9UBU7
DOI: 10.7270/q2sx6dxd
title: BindingDB Entry 50036893: Slow-onset, long-duration 3-(3',4'-dichlorophenyl)-1-indanamine monoamine reuptake blockers as potential medications to treat cocaine abuse.

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/q2td9z40
title: BindingDB Entry 50037802: Structure-activity relationship study of prion inhibition by 2-aminopyridine-3,5-dicarbonitrile-based compounds: parallel synthesis, bioactivity, and in vitro pharmacokinetics.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2tt4rj4
title: BindingDB Entry 50036018: Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P56481
DOI: 10.7270/q2vt1sqz
title: BindingDB Entry 50036010: Nucleosides and nucleotides. 107. 2-(cycloalkylalkynyl)adenosines: adenosine A2 receptor agonists with potent antihypertensive effects.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2vt1t0z
title: BindingDB Entry 50038688: Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling of neurotensin receptor 1.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P30989
DOI: 10.7270/q2xg9s4j
title: BindingDB Entry 50039575: Synthesis and evaluation of analogues of estrone-3-O-sulfamate as potent steroid sulfatase inhibitors.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2xk8g88
title: BindingDB Entry 50036892: Synthesis of apicidin-derived quinolone derivatives: parasite-selective histone deacetylase inhibitors and antiproliferative agents.

description: Small molecule binding data for protein Histone deacetylase
DOI: 10.7270/q2z60pvv
title: BindingDB Entry 50037801: Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dihydroorotate dehydrogenase, and P-selectin/P-selectin glycoprotein ligand 1, Uniprot P05177, P08684, P10632, P10635, P11509, P11712, P33261, Q02127, and Q14242
DOI: 10.7270/q2zk5h8v
title: BindingDB Entry 50036017: Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors.

description: Small molecule binding data for protein Cathepsin D, Pepsin A, Pepsinogen A5, and Renin, Uniprot P00791, P00797, P08424, P0DJD9, and P80209
DOI: 10.7270/q20z742g
title: BindingDB Entry 50037816: Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA.

description: Small molecule binding data for protein MurA (E. coli) and MurA (P. aeruginosa), Uniprot P0A749 and Q9HVW7
DOI: 10.7270/q21837g0
title: BindingDB Entry 50039582: 4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 3, and Voltage-gated potassium channel, Uniprot O95136, O95977, P08684, P10635, P21453, Q12809, Q99500, and Q9H228
DOI: 10.7270/q21g0mzr
title: BindingDB Entry 50036900: Potent and selective non-peptidic inhibitors of endothelin-converting enzyme-1 with sustained duration of action.

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1) and Neutral Endopeptidase (NEP), Uniprot P07861 and P42892
DOI: 10.7270/q21z4579
title: BindingDB Entry 50037808: Design and synthesis of substituted pyridine derivatives as HIF-1alpha prolyl hydroxylase inhibitors.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q22b8zmc
title: BindingDB Entry 50036026: Nucleosides and nucleotides. 112. 2-(1-Hexyn-1-yl)adenosine-5'-uronamides: a new entry of selective A2 adenosine receptor agonists with potent antihypertensive activity.

description: Small molecule binding data for protein Adenosine A2 receptor and Adenosine receptor A1, Uniprot P25099 and P30543
DOI: 10.7270/q22b8zxd
title: BindingDB Entry 50038702: Design, synthesis, and characterization of high-affinity, systemically-active galanin analogues with potent anticonvulsant activities.

description: Small molecule binding data for protein GALR1, Galanin receptor 2, and Galanin receptor 3, Uniprot O43603, O60755, and P47211