cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q29s1q3r
title: BindingDB Entry 50005714: Centrally acting serotonergic and dopaminergic agents. 1. Synthesis and structure-activity relationships of 2,3,3a,4,5,9b-hexahydro-1H-benz[e]indole derivatives.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1A (5HT1A), Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P61169, and Q64264
DOI: 10.7270/q2cf9p7b
title: BindingDB Entry 50008088: Synthesis of N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)nicotinamides and their affinities for 5-HT3 and dopamine D2 receptors.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563, P61169, and Q9JJ16
DOI: 10.7270/q2db813k
title: BindingDB Entry 50010232: Pyrrolo[2,3-d]pyrimidines containing an extended 5-substituent as potent and selective inhibitors of lck II.

description: Small molecule binding data for protein SRC, Tyrosine-protein kinase CSK, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P06239, P06241, P07948, P35968, P41240, and Q02763
DOI: 10.7270/q2dj5dq4
title: BindingDB Entry 50005741: Antiviral enantiomeric preference for 5'-noraristeromycin.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P50247
DOI: 10.7270/q2f76bh6
title: BindingDB Entry 50001043: Novel time-dependent inhibitors of human placental aromatase.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2h70dz6
title: BindingDB Entry 50008085: A potent dipeptide inhibitor of dipeptidyl peptidase IV.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2j38rth
title: BindingDB Entry 50010231: Pyrrolo[2,3-d]pyrimidines containing an extended 5-substituent as potent and selective inhibitors of lck I.

description: Small molecule binding data for protein Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Epidermal growth factor receptor, Protein kinase C (PKC), SRC, Tyrosine-protein kinase ZAP-70, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot O94806, O95067, P00533, P05129, P05771, P06239, P06493, P12931, P14635, P17252, P24723, P35968, P41743, P43403, Q02156, Q02763, Q04759, Q05513, Q05655, Q15139, and Q8WWL7
DOI: 10.7270/q2j965fv
title: BindingDB Entry 50005738: Naphthalenic lignan lactones as selective, nonredox 5-lipoxygenase inhibitors. Synthesis and biological activity of (methoxyalkyl)thiazole and methoxytetrahydropyran hybrids.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2k0737x
title: BindingDB Entry 50001027: Phosphonate-containing inhibitors of tyrosine-specific protein kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor and Insulin receptor, Uniprot P00533 and P06213
DOI: 10.7270/q2n015px
title: BindingDB Entry 50008082: Evaluation of phosphorus-containing inhibitors of gamma-glutamyl hydrolase.

description: Small molecule binding data for protein Gamma-glutamyl hydrolase, Uniprot Q92820
DOI: 10.7270/q2nv9hhg
title: BindingDB Entry 50010217: Discovery of a potent, highly selective, and orally efficacious small-molecule activator of the insulin receptor.

description: Small molecule binding data for protein Insulin receptor, Uniprot P06213
DOI: 10.7270/q2p26x6n
title: BindingDB Entry 50005735: Inhibition of cyclic nucleotide phosphodiesterase by derivatives of 1,3-bis(cyclopropylmethyl)xanthine.

description: Small molecule binding data for protein Adenosine receptor A1, Phosphodiesterase 1C (PDE1C), Phosphodiesterase 2A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P14099, P25099, and Q14123
DOI: 10.7270/q2pr7tx3
title: BindingDB Entry 50001022: Novel site-directed affinity ligands for GABA-gated chloride channels: synthesis, characterization, and molecular modeling of 1-(isothiocyanatophenyl)-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octanes .

description: Small molecule binding data for protein GABA receptor gamma-1 subunit, Uniprot P23574
DOI: 10.7270/q2rr1xdz
title: BindingDB Entry 50008081: Synthesis and anti-HIV activities of urea-PETT analogs belonging to a new class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2sj1jkw
title: BindingDB Entry 50001072: Functionalized congener approach to muscarinic antagonists: analogues of pirenzepine.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M4, and Muscarinic receptor M2 and M3, Uniprot P08482, P08483, P08485, and P10980
DOI: 10.7270/q2sn0869
title: BindingDB Entry 50010206: Design, synthesis, and discovery of 3-piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives: a novel series of mixed dopamine D2/D4 receptor antagonists.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Dopamine receptors; D2 & D4, Uniprot P14416 and P21917
DOI: 10.7270/q2st7nxn
title: BindingDB Entry 50005732: Potent gastrin-releasing peptide (GRP) antagonists derived from GRP (19-27) with a C-terminal DPro psi [CH2NH]Phe-NH2 and N-terminal aromatic residues.

description: Small molecule binding data for protein Gastrin releasing peptide receptor, Uniprot P21729 and Q53WV4
DOI: 10.7270/q2wh2p54
title: BindingDB Entry 50008079: Isoindolinone enantiomers having affinity for the dopamine D4 receptor.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A (5HT1A), Adenosine receptor A2b, Adrenergic receptor alpha, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin 2a (5-HT2a) receptor, Uniprot P14416, P21917, P22909, P29276, P35462, Q64264, and Q75Z89
DOI: 10.7270/q2x63kxb
title: BindingDB Entry 50001068: Gastrin releasing peptide antagonists with improved potency and stability.

description: Small molecule binding data for protein Gastrin releasing peptide receptor, Uniprot P21729 and Q53WV4
DOI: 10.7270/q2x929jr
title: BindingDB Entry 50010205: Human beta3-adrenergic receptor agonists containing 1,2,3-triazole-substituted benzenesulfonamides.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2xk8dnc
title: BindingDB Entry 50005730: Non-amine based analogues of lavendustin A as protein-tyrosine kinase inhibitors.

description: Small molecule binding data for protein SRC, Uniprot P06239
DOI: 10.7270/q2125rmp
title: BindingDB Entry 50001094: New inhibitors of renin that contain novel phosphostatine Leu-Val replacements.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2125rxq
title: BindingDB Entry 50010242: Development of plasmin and plasma kallikrein selective inhibitors and their effect on M1 (melanoma) and HT29 cell lines.

description: Small molecule binding data for protein Plasminogen, Uniprot P00747
DOI: 10.7270/q23t9gg9
title: BindingDB Entry 50010269: Hunting the emesis and efficacy targets of PDE4 inhibitors: identification of the photoaffinity probe 8-(3-azidophenyl)-6- [(4-iodo-1H-1-imidazolyl)methyl]quinoline (APIIMQ).

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4A, Uniprot P27815
DOI: 10.7270/q2445kjb
title: BindingDB Entry 50005769: Conformationally constrained peptides and semipeptides derived from RGD as potent inhibitors of the platelet fibrinogen receptor and platelet aggregation.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q24q7t0p
title: BindingDB Entry 50001092: N-[(arylmethoxy)phenyl] carboxylic acids, hydroxamic acids, tetrazoles, and sulfonyl carboxamides. Potent orally active leukotriene D4 antagonists of novel structure.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q24t6hmp
title: BindingDB Entry 50010240: Diphenylsulfone muscarinic antagonists: piperidine derivatives with high M2 selectivity and improved potency.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, P08912, P11229, and P20309
DOI: 10.7270/q2542mn8
title: BindingDB Entry 50005743: Inhibitors of acyl-CoA: cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. 6. The first water-soluble ACAT inhibitor with lipid-regulating activity.

description: Small molecule binding data for protein Sterol O-acyltransferase, Soat, Uniprot O70536
DOI: 10.7270/q26t0krn
title: BindingDB Entry 50008114: Identification and SAR for a selective, nonpeptidyl thrombin inhibitor.

description: Small molecule binding data for protein Prothrombin and Trypsin-1, Uniprot P00734 and P07477
DOI: 10.7270/q27w6b8r
title: BindingDB Entry 50005768: Antagonist, partial agonist, and full agonist imidazo[1,5-a]quinoxaline amides and carbamates acting through the GABAA/benzodiazepine receptor.

description: Small molecule binding data for protein GABA A receptor alpha-6/beta-2/gamma-2, Uniprot P18507, P47870, and Q16445
DOI: 10.7270/q28g8jpj
title: BindingDB Entry 50001087: New pepstatin analogues: synthesis and pepsin inhibition.

description: Small molecule binding data for protein Pepsin A, Uniprot P00791
DOI: 10.7270/q28w3cb7
title: BindingDB Entry 50005742: Discovery of new non-phospholipid inhibitors of the secretory phospholipases A2.

description: Small molecule binding data for protein Group VII phospholipase A2, Group X secretory phospholipase A2, and Phospholipase A2, membrane associated, Uniprot O15496 and P14555
DOI: 10.7270/q2bg2n5d
title: BindingDB Entry 50008110: Potent and efficacious thienylamidine-incorporated thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin and Trypsin, Uniprot P00734 and P00760
DOI: 10.7270/q2cc0zxh
title: BindingDB Entry 50010262: New arylpiperazine derivatives as antagonists of the human cloned 5-HT(4) receptor isoforms.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 (5-HT4), Uniprot Q13639
DOI: 10.7270/q2cn72zm
title: BindingDB Entry 50005763: Second-generation benzodiazepine CCK-B antagonists. Development of subnanomolar analogs with selectivity and water solubility.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P32239
DOI: 10.7270/q2d799d8
title: BindingDB Entry 50001080: Quinazoline antifolate thymidylate synthase inhibitors: bridge modifications and conformationally restricted analogues in the C2-methyl series.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2g73cv8
title: BindingDB Entry 50008108: Identification of a potent analogue of Nazumamide A through iteration of combinatorial tetrapeptide libraries.

description: Small molecule binding data for protein Thrombin and coagulation factor VII, Uniprot P00734
DOI: 10.7270/q2h41qpp
title: BindingDB Entry 50010260: Synthesis and opioid receptor affinity of a series of 2, 4-diaryl-substituted 3,7-diazabicylononanones.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2h99481
title: BindingDB Entry 50005761: 3-Alkoxybenzo[b]thiophene-2-carboxamides as inhibitors of neutrophil-endothelial cell adhesion.

description: Small molecule binding data for protein Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 and Selectin E, Uniprot P05362 and P16581
DOI: 10.7270/q2j10250
title: BindingDB Entry 50001077: Syntheses of 5,7,8- and 5,6,7-trioxygenated 3-alkyl-3',4'-dihydroxyflavones and their inhibitory activities against arachidonate 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2m044jj
title: BindingDB Entry 50008103: Adenosine deaminase inhibitors. Synthesis and biological evaluation of aralkyladenines (ARADS).

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2ms3rr7
title: BindingDB Entry 50001104: Antiinflammatory agents. 4. Syntheses and biological evaluation of potential prodrugs of 2-amino-3-benzoylbenzeneacetic acid and 2-amino-3-(4-chlorobenzoyl)benzeneacetic acid.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot P79208
DOI: 10.7270/q2mw2gd3
title: BindingDB Entry 50010252: New substituted 1-(2,3-dihydrobenzo[1, 4]dioxin-2-ylmethyl)piperidin-4-yl derivatives with alpha(2)-adrenoceptor antagonist activity.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2n29w0c
title: BindingDB Entry 50005758: Novel [2-(4-piperidinyl)ethyl](thio)ureas: synthesis and antiacetylcholinesterase activity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2ns0swm
title: BindingDB Entry 50001075: 4-hydroxythiazole inhibitors of 5-lipoxygenase.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Arachidonate 5-lipoxygenase, Uniprot P09917 and P12527
DOI: 10.7270/q2qr4w8k
title: BindingDB Entry 50008101: A new series of cyclic amino acids as inhibitors of S-adenosyl L-methionine synthetase.

description: Small molecule binding data for protein S-adenosylmethionine synthetase (MAT 1 and MAT 2), Uniprot P13444
DOI: 10.7270/q2rj4hgz
title: BindingDB Entry 50001101: Nonsteroidal antiinflammatory drug hydroxamic acids. Dual inhibitors of both cyclooxygenase and 5-lipoxygenase.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2rn373c
title: BindingDB Entry 50010248: Replacement of glycine with dicarbonyl and related moieties in analogues of the C-terminal pentapeptide of cholecystokinin: CCK(2) agonists displaying a novel binding mode.

description: Small molecule binding data for protein CCKBR, Cholecystokinin A receptor, and Cholecystokinin receptor, Uniprot P30553, P32239, and Q63931
DOI: 10.7270/q2rv0mrc
title: BindingDB Entry 50005757: Matrix metalloproteinase inhibitors containing a (carboxyalkyl)amino zinc ligand: modification of the P1 and P2' residues.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, and P14780
DOI: 10.7270/q2vh5n09
title: BindingDB Entry 50008099: Diarylsulfonamides as selective, non-peptidic thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2w95857
title: BindingDB Entry 50001097: Effect of structure on potency and selectivity in 2,6-disubstituted 4-(2-arylethenyl)phenol lipoxygenase inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2wd3zsv
title: BindingDB Entry 50010246: Discovery of (R)-7-cyano-2,3,4, 5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3- (phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine (BMS-214662), a farnesyltransferase inhibitor with potent preclinical antitumor activity.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT) Chain B, Uniprot P49354, P49356, and P53609
DOI: 10.7270/q2wm1cg3
title: BindingDB Entry 50005756: Haloperidol-based irreversible inhibitors of the HIV-1 and HIV-2 proteases.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease and Human rhinovirus A protease
DOI: 10.7270/q2z89bjs
title: BindingDB Entry 50008123: Heteroatom- and carbon-linked biphenyl analogs of Brequinar as immunosuppressive agents.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase, Uniprot Q02127
DOI: 10.7270/q2028qhr
title: BindingDB Entry 50001119: New leupeptin analogues: synthesis and inhibition data.

description: Small molecule binding data for protein Kallikrein-1 (KLK1), Plasmin, and Trypsin-1, Uniprot P06870, P07477, and Q01177
DOI: 10.7270/q2057f5m
title: BindingDB Entry 50010272: Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q20c4ttm
title: BindingDB Entry 50005774: Inhibitors of acyl-CoA:cholesterol acyltransferase. 1. Synthesis and hypocholesterolemic activity of dibenz[b,e]oxepin-11-carboxanilides.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q2222sx9
title: BindingDB Entry 50008143: Solid-phase synthesis of N-substituted amidinophenoxy pyridines as factor XA inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q22z14s7
title: BindingDB Entry 50010289: Discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 1. Identification of an additional binding pocket based on an anilino diaryl sulfide lead.

description: Small molecule binding data for protein Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha and Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2, Uniprot P05107, P05362, and P20701
DOI: 10.7270/q2319v13
title: BindingDB Entry 50008118: C6 modification of the pyridinone core of thrombin inhibitor L-374,087 as a means of enhancing its oral absorption.

description: Small molecule binding data for protein Prothrombin and Trypsin-1, Uniprot P00734 and P07477
DOI: 10.7270/q2348jfd
title: BindingDB Entry 50005798: Structure-based design of inhibitors of purine nucleoside phosphorylase. 4. A study of phosphate mimics.

description: Small molecule binding data for protein Purine nucleoside phosphorylase and Purine-nucleoside phosphorylase, Uniprot P00491 and P85973
DOI: 10.7270/q23t9g58
title: BindingDB Entry 50001117: Synthesis and serotonin binding site studies of some conformationally restricted indolylethylamine analogues based on 2-amino-3-(3'-indolyl)bicyclo[2.2.2]octane.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A (5HT1A), Uniprot Q64264
DOI: 10.7270/q25t3jnq
title: BindingDB Entry 50008140: Synthesis and anti-HIV activities of symmetrical N1,N3-dibenzyl-2-hydroxy-propane derivatives.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q26m363n
title: BindingDB Entry 50010287: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide].

description: Small molecule binding data for protein Transcription factor AP-1, Uniprot P05412
DOI: 10.7270/q26w995t
title: BindingDB Entry 50005796: New dual inhibitors of neutral endopeptidase and angiotensin-converting enzyme: rational design, bioavailability, and pharmacological responses in experimental hypertension.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neprilysin, Uniprot P08473, P09470, and Q61391
DOI: 10.7270/q27h1hk5
title: BindingDB Entry 50001112: (Pyrimidinyloxy)acetic acids and pyrimidineacetic acids as a novel class of aldose reductase inhibitors.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116
DOI: 10.7270/q27m0754
title: BindingDB Entry 50010264: Novel cannabinol probes for CB1 and CB2 cannabinoid receptors.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q29k49cf
title: BindingDB Entry 50008139: Serine derived NK1 antagonists. 2: A pharmacophore model for arylsulfonamide binding.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2bc3xs4
title: BindingDB Entry 50010285: Role of hydrophobic interactions in binding S-(N-aryl/alkyl-N-hydroxycarbamoyl)glutathiones to the active site of the antitumor target enzyme glyoxalase I.

description: Small molecule binding data for protein Glyoxalase 1 (GLO1), Uniprot Q04760
DOI: 10.7270/q2bp01wp
title: BindingDB Entry 50005794: Antiinflammatory 4,5-diarylpyrroles: synthesis and QSAR.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Phospholipase A2, major isoenzyme, and Prostaglandin D2 synthase, Uniprot O02853, P00592, and P12527
DOI: 10.7270/q2c8288f
title: BindingDB Entry 50001106: 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 2. Synthesis, biological properties and molecular modeling of hydroxyethylene isostere derivatives.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2f76bqw
title: BindingDB Entry 50008138: Serine derived NK1 antagonists. 1: The effect of modifications to the serine substituents.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2g15zs3
title: BindingDB Entry 50001135: Synthesis and dopamine receptor affinity of (R)-(-)-2-fluoro-N-n-propylnorapomorphine: a highly potent and selective dopamine D2 agonist.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q2g44pj9
title: BindingDB Entry 50010279: Radioiodinated N-(2-diethylaminoethyl)benzamide derivatives with high melanoma uptake: structure-affinity relationships, metabolic fate, and intracellular localization.

description: Small molecule binding data for protein OPIATE Sigma, Uniprot Q9R0C9
DOI: 10.7270/q2gf0skk
title: BindingDB Entry 50005792: Development of a receptor-interaction model for serotonin 5-HT2 receptor antagonists. Predicting selectivity with respect to dopamine D2 receptors.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q2h13105
title: BindingDB Entry 50001105: 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 1. Synthesis and biological properties of alkyl alcohol and statine derivatives.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2k073d5
title: BindingDB Entry 50008133: C-alkylated spiro[benzofuran-3(2H),4'-1'-methyl-piperidine-7-ols] as potent opioids: a conformation-activity study.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2ks6qhh
title: BindingDB Entry 50001127: 4-Isoxazolyl-1,4-dihydropyridines: biological, theoretical, and structural studies.

description: Small molecule binding data for protein Calcium channel (Type L), Uniprot Q13936