cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q26q1xzt
title: BindingDB Entry 50036979: Synthesis and biological evaluation of tropane-like 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909) analogues.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Muscarinic acetylcholine receptor M1, and Sodium-dependent serotonin transporter, Uniprot P08482, P23977, and P31652
DOI: 10.7270/q27h1kk0
title: BindingDB Entry 50039650: Semisynthetic neoclerodanes as kappa opioid receptor probes.

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/q29024mw
title: BindingDB Entry 50037900: Discovery of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]amine--a potent, orally active Src kinase inhibitor with anti-tumor activity in preclinical assays.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Ephrin type-B receptor 4 (EphB4), Fibroblast growth factor receptor 2, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Platelet-derived growth factor receptor beta, SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Yes, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P05177, P06239, P07947, P07948, P07949, P08684, P09619, P10635, P11712, P12931, P21802, P33261, P35968, P54760, and Q541P7
DOI: 10.7270/q2bc4058
title: BindingDB Entry 50036124: Analogues of platelet activating factor. 6. Mono- and bis-aryl phosphate antagonists of platelet activating factor.

description: Small molecule binding data for protein Platelet activating factor receptor, Uniprot P21556
DOI: 10.7270/q2bc408m
title: BindingDB Entry 50036978: Pseudoproline-containing analogues of morphiceptin and endomorphin-2: evidence for a cis Tyr-Pro amide bond in the bioactive conformation.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2bc40fv
title: BindingDB Entry 50038785: Discovery of novel Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase inhibitors.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase, glycosomal, Uniprot P22513
DOI: 10.7270/q2dr2w9g
title: BindingDB Entry 50037899: Parallel strategies for the preparation and selection of liver-targeted glucocorticoid receptor antagonists.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2g44qxn
title: BindingDB Entry 50036122: Inhibitors of acyl-CoA:cholesterol acyltransferase. 1. Identification and structure-activity relationships of a novel series of fatty acid anilide hypocholesterolemic agents.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q2g44r0z
title: BindingDB Entry 50036976: Design, synthesis, and biological evaluation of novel nucleoside and nucleotide analogues as agents against DNA viruses and/or retroviruses.

description: Small molecule binding data for protein Adenosine deaminase and Phosphoribosyl pyrophosphate synthetase-associated protein 2, Uniprot O60256 and P56658
DOI: 10.7270/q2g44r6n
title: BindingDB Entry 50038784: 14 beta-O-cinnamoylnaltrexone and related dihydrocodeinones are mu opioid receptor partial agonists with predominant antagonist activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P35372, P41143, P41144, P41145, and P97266
DOI: 10.7270/q2jh3n0r
title: BindingDB Entry 50037898: A new therapeutic approach in Alzheimer disease: some novel pyrazole derivatives as dual MAO-B inhibitors and antiinflammatory analgesics.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2ks6sk7
title: BindingDB Entry 50039655: Isoquinoline derivatives as potent CRTH2 receptor antagonists: synthesis and SAR.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), G protein-coupled receptor 44, and Prostanoid DP receptor, Uniprot P23219, P35354, Q13258, and Q9Y5Y4
DOI: 10.7270/q2kw5gph
title: BindingDB Entry 50036121: Inhibitors of human purine nucleoside phosphorylase. Synthesis of pyrrolo[3,2-d]pyrimidines, a new class of purine nucleoside phosphorylase inhibitors as potentially T-cell selective immunosuppressive agents. Description of 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo[3,2-d] pyrimidin-4-o

description: Small molecule binding data for protein Purine nucleoside phosphorylase, Uniprot P00491
DOI: 10.7270/q2kw5grd
title: BindingDB Entry 50036975: Alpha-amino acid phenolic ester derivatives: novel water-soluble general anesthetic agents which allosterically modulate GABA(A) receptors.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, Uniprot P14867, P18507, and P28472
DOI: 10.7270/q2kw5gz3
title: BindingDB Entry 50038783: Naphthylisopropylamine and N-benzylamphetamine derivatives as monoamine oxidase inhibitors.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2ms3tr2
title: BindingDB Entry 50039647: Synthesis, biological evaluation and molecular docking studies of 1,3,4-oxadiazole derivatives as potential immunosuppressive agents.

description: Small molecule binding data for protein PI3-kinase subunit beta, PI3-kinase subunit delta, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha), Uniprot O00329, P42337, and P42338
DOI: 10.7270/q2p84cq2
title: BindingDB Entry 50037897: An antifungal agent inhibits an aminoacyl-tRNA synthetase by trapping tRNA in the editing site.

description: Small molecule binding data for protein Leucyl-tRNA synthetase, cytoplasmic, Uniprot P26637
DOI: 10.7270/q2pn968v
title: BindingDB Entry 50036130: Amino- and guanidinoacylryanodines: basic ryanodine esters with enhanced affinity for the sarcoplasmic reticulum Ca(2+)-release channel.

description: Small molecule binding data for protein Ryanodine receptor 1, Uniprot P11716
DOI: 10.7270/q2pn96jf
title: BindingDB Entry 50038790: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2.

description: Small molecule binding data for protein C-C chemokine receptor type 5 and Voltage-gated potassium channel, Uniprot P51681 and Q12809
DOI: 10.7270/q2qj7j9z
title: BindingDB Entry 50039654: 4-(1-Phenyl-1H-pyrazol-4-yl)quinolines as novel, selective and brain penetrant metabotropic glutamate receptor 4 positive allosteric modulators.

description: Small molecule binding data for protein Melatonin receptor, Metabotropic glutamate receptor 4 (mGluR4), Serotonin receptor (2b and 2c), and Voltage-gated potassium channel, Uniprot P41595, P48039, Q12809, and Q14833
DOI: 10.7270/q2qn67d7
title: BindingDB Entry 50036120: Novel anthraquinone inhibitors of human leukocyte elastase and cathepsin G.

description: Small molecule binding data for protein Cathepsin G and Leukocyte elastase, Uniprot P08246 and P08311
DOI: 10.7270/q2qn67hk
title: BindingDB Entry 50036974: Long lasting antinociceptive properties of enkephalin degrading enzyme (NEP and APN) inhibitor prodrugs.

description: Small molecule binding data for protein Aminopeptidase N and Neprilysin, Uniprot P08473 and P15144
DOI: 10.7270/q2qn67q8
title: BindingDB Entry 50038782: Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2t154g7
title: BindingDB Entry 50037896: Design, synthesis, binding, and molecular modeling studies of new potent ligands of cannabinoid receptors.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P21554, P34972, and P97612
DOI: 10.7270/q2td9z8s
title: BindingDB Entry 50038789: Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) and 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P16232 and P28845
DOI: 10.7270/q2v69kmz
title: BindingDB Entry 50039653: Steroidal C-21 heteroaryl thioethers. Part 3: pregn-4-eno-[3,2-c]pyrazole fused A ring modified steroids as selective glucocorticoid receptor modulators (dissociated steroids).

description: Small molecule binding data for protein Glucocorticoid and Glucocorticoid receptor, Uniprot P04150 and P06536
DOI: 10.7270/q2vd7022
title: BindingDB Entry 50036119: Synthesis and evaluation of a new series of mechanism-based aromatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2vd706v
title: BindingDB Entry 50036973: Synthesis and biological evaluation of s-triazine substituted polyamines as potential new anti-trypanosomal drugs.

description: Small molecule binding data for protein Adenosine transporter 1
DOI: 10.7270/q2vd70dj
title: BindingDB Entry 50038781: Medicinal chemistry approaches to the inhibition of dipeptidyl peptidase-4 for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Fibroblast activation protein alpha, and Voltage-gated potassium channel, Uniprot P08684, P14740, P22411, P27487, P28843, Q12809, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2xs5w68
title: BindingDB Entry 50037895: Isolation of glycosidase-inhibiting hyacinthacines and related alkaloids from Scilla socialis.

description: Small molecule binding data for protein β-galactosidase, Alpha-L-fucosidase I, and Beta-galactosidase, Uniprot P04066 and Q58D55
DOI: 10.7270/q20k29db
title: BindingDB Entry 50037910: Discovery of 1-(4-phenoxypiperidin-1-yl)-2-arylaminoethanone stearoyl-CoA desaturase 1 inhibitors.

description: Small molecule binding data for protein Stearoyl-CoA desaturase 1, Uniprot O00767
DOI: 10.7270/q21z4522
title: BindingDB Entry 50036135: Inhibitors of acyl-CoA:cholesterol acyltransferase (ACAT). 2. Modification of fatty acid anilide ACAT inhibitors: bioisosteric replacement of the amide bond.

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q21z45c3
title: BindingDB Entry 50038795: Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable"back-up" compound for N-tert-butyl isoquine.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10632, P10635, P11712, and P33261
DOI: 10.7270/q22r3spf
title: BindingDB Entry 50039659: An approach for differentiating isozymes. Construction of libraries containing short aromatic peptides as part of a method to design selective inhibitors against lipases.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P00591 and P16233
DOI: 10.7270/q24b3242
title: BindingDB Entry 50037909: Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 1.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q25m66bm
title: BindingDB Entry 50036134: Tetrapeptide tachykinin antagonists: synthesis and modulation of the physicochemical and pharmacological properties of a new series of partially cyclic analogs.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, and TACR2, Uniprot P14600, P16177, P16610, P21452, P25103, and P79218
DOI: 10.7270/q25q4x1j
title: BindingDB Entry 50038794: 8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands.

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/q26h4jd5
title: BindingDB Entry 50039658: Design, synthesis and biological evaluation of thiazole- and indole-based derivatives for the treatment of type II diabetes.

description: Small molecule binding data for protein Fatty acid-binding protein, adipocyte, Uniprot P70623
DOI: 10.7270/q28053f2
title: BindingDB Entry 50037908: Synthesis and biological evaluation of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel PI3 kinase p110alpha inhibitors.

description: Small molecule binding data for protein CDK2/Cyclin E/G1/S-specific cyclin E2, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit gamma, Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, Protein kinase C alpha type, and Vascular endothelial growth factor receptor 2, Uniprot O00750, O96020, P17252, P24864, P24941, P35968, P42336, P42338, and P48736
DOI: 10.7270/q29c6z1h
title: BindingDB Entry 50036133: New mechanism-based inactivators of trypsin-like proteinases. Selective inactivation of urokinase by functionalized cyclopeptides incorporating a sulfoniomethyl-substituted m-aminobenzoic acid residue.

description: Small molecule binding data for protein Trypsin, Trypsin II, and Urokinase-type plasminogen activator, Uniprot P00749, P00760, and Q29463
DOI: 10.7270/q29c6zbj
title: BindingDB Entry 50038793: Probing of the cis-5-phenyl proline scaffold as a platform for the synthesis of mechanism-based inhibitors of the Staphylococcus aureus sortase SrtA isoform.

description: Small molecule binding data for protein Sortase A (SrtA)
DOI: 10.7270/q2b8594w
title: BindingDB Entry 50039657: Novel pyrrolopyrimidine analogues as potent dipeptidyl peptidase IV inhibitors based on pharmacokinetic property-driven optimization.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, and Voltage-gated potassium channel, Uniprot P27487, Q12809, Q6V1X1, and Q86TI2
DOI: 10.7270/q2cr5v53
title: BindingDB Entry 50037907: N-(3-(4-Hydroxyphenyl)-propenoyl)-amino acid tryptamides as SIRT2 inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q2f190r8
title: BindingDB Entry 50039664: The design and synthesis of potent, selective benzodiazepine sulfonamide bombesin receptor subtype 3 (BRS-3) agonists with an increased barrier of atropisomerization.

description: Small molecule binding data for protein BRS3 and Bombesin receptor subtype-3, Uniprot O54798 and P32247
DOI: 10.7270/q2f47prt
title: BindingDB Entry 50036132: Synthesis of (R,S)-2'-trans-7-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'- propenyl)-amino]tetralin (trans-7-OH-PIPAT): a new D3 dopamine receptor ligand.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Dopamine receptor, Uniprot P19020 and P61169
DOI: 10.7270/q2f47pv5
title: BindingDB Entry 50036985: Novel tropane-based irreversible ligands for the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2f47q1t
title: BindingDB Entry 50038792: Development of the renal glucose reabsorption inhibitors: a new mechanism for the pharmacotherapy of diabetes mellitus type 2.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639 and P53792
DOI: 10.7270/q2g161v6
title: BindingDB Entry 50039656: Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2hh6kvz
title: BindingDB Entry 50037906: 1,2,3-Triazolylalkylribitol derivatives as nucleoside hydrolase inhibitors.

description: Small molecule binding data for protein IAG-nucleoside hydrolase
DOI: 10.7270/q2hx1dkj
title: BindingDB Entry 50038799: N-(4-(4-(2,3-dichloro- or 2-methoxyphenyl)piperazin-1-yl)butyl)heterobiarylcarboxamides with functionalized linking chains as high affinity and enantioselective D3 receptor antagonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptors; D2 & D4, Uniprot P08908, P21728, P21917, and P35462
DOI: 10.7270/q2js9rg9
title: BindingDB Entry 50039663: Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2jw8fhp
title: BindingDB Entry 50036131: Cyclic nucleotide phosphodiesterase inhibition by imidazopyridines: analogues of sulmazole and isomazole as inhibitors of the cGMP specific phosphodiesterase.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2jw8fkk
title: BindingDB Entry 50036984: Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q2jw8fs8
title: BindingDB Entry 50038791: A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2n87bkp
title: BindingDB Entry 50037905: Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot P0CT06
DOI: 10.7270/q2np2524
title: BindingDB Entry 50036140: Excursions in drug discovery.

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Angiotensin-converting enzyme, Cholecystokinin receptor, Renin, and Thermolysin, Uniprot P00797, P00800, P12821, P32238, P32239, and P34976
DOI: 10.7270/q2np25bq
title: BindingDB Entry 50038798: Novel aminopeptidase N inhibitors derived from antineoplaston AS2-5 (Part I).

description: Small molecule binding data for protein Aminopeptidase N and Collagenase, Uniprot P08253 and P15145
DOI: 10.7270/q2pk0h6k
title: BindingDB Entry 50039662: Rational design, synthesis and anti-proliferative properties of new CB2 selective cannabinoid receptor ligands: an investigation of the 1,8-naphthyridin-2(1H)-one scaffold.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2pn96br
title: BindingDB Entry 50036983: An orally active, water-soluble neurokinin-1 receptor antagonist suitable for both intravenous and oral clinical administration.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2r21261
title: BindingDB Entry 50037912: 2-Phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives: new potent inhibitors of fMLP-induced neutrophil chemotaxis.

description: Small molecule binding data for protein fMet-Leu-Phe receptor 1/2, Uniprot P21462
DOI: 10.7270/q2s1839d
title: BindingDB Entry 50037904: Pharmacophore modeling and in silico screening for new KDR kinase inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2sf2wth
title: BindingDB Entry 50036139: Non-peptide ligands for opioid receptors. Design of kappa-specific agonists.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and mu/kappa opioid receptor, Uniprot P33535 and P41144
DOI: 10.7270/q2tb17xw
title: BindingDB Entry 50039661: Chemical synthesis and biological evaluation of triazole derivatives as inhibitors of InhA and antituberculosis agents.

description: Small molecule binding data for protein Enoyl-ACP Reductase (InhA), Uniprot P9WGR1
DOI: 10.7270/q2td9z06
title: BindingDB Entry 50036129: Comparison of 5-HT1A and dopamine D2 pharmacophores. X-ray structures and affinities of conformationally constrained ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, and P61169
DOI: 10.7270/q2td9z23
title: BindingDB Entry 50036982: 5-(Tryptophyl)amino-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-based potent and selective CCK(1) receptor antagonists: structure-activity relationship studies on the central 1,3-dioxoperhydropyrido[1,2-c]pyrimidine scaffold.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30551 and P30553
DOI: 10.7270/q2ws8v2w
title: BindingDB Entry 50037903: High-affinity carbamate analogues of morphinan at opioid receptors.

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/q2x63nm4
title: BindingDB Entry 50036138: Synthesis of isosteric analogues of nicotinamide adenine dinucleotide containing C-nucleotide of nicotinamide or picolinamide.

description: Small molecule binding data for protein Glutamate dehydrogenase, Uniprot P00366
DOI: 10.7270/q2x63nwq
title: BindingDB Entry 50038796: Fluorine and rhenium substituted ghrelin analogues as potential imaging probes for the growth hormone secretagogue receptor.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2z320nm
title: BindingDB Entry 50039660: Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2z60ppm
title: BindingDB Entry 50036127: A remarkable change of opioid receptor selectivity on the attachment of a peptidomimetic kappa address element to the delta antagonist, natrindole: 5'-[N2-alkylamidino)methyl]naltrindole derivatives as a novel class of kappa opioid receptor antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q2z60psz
title: BindingDB Entry 50036981: Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a and A3, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P28647, and P30543