cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2tt4q5s
title: BindingDB Entry 50009495: Synthesis, characterization, and structure-activity relationships of amidine-substituted (bis)benzylidene-cycloketone olefin isomers as potent and selective factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2v40tpn
title: BindingDB Entry 50015386: Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 9, Uniprot P00915, P00918, P22748, and Q16790
DOI: 10.7270/q2vq3285
title: BindingDB Entry 50017348: Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids.

description: Small molecule binding data for protein Steroid 5-alpha-reductase, Uniprot P24008 and P31213
DOI: 10.7270/q2xg9qhn
title: BindingDB Entry 50013704: A catch-and-release strategy for the combinatorial synthesis of 4-acylamino-1,3-thiazoles as potential CDK5 inhibitors.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and Cyclin-Dependent Kinase 5 (CDK5), Uniprot P20248, P24941, P78396, Q00535, and Q15078
DOI: 10.7270/q2zc8256
title: BindingDB Entry 50011720: Structure-based design of cyclooxygenase-2 selectivity into ketoprofen.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2zg6rgs
title: BindingDB Entry 50009493: Modeling of amino-terminal domains of group I metabotropic glutamate receptors: structural motifs affecting ligand selectivity.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 5, Uniprot P41594 and Q13255
DOI: 10.7270/q2zw1kcm
title: BindingDB Entry 50015381: Synthesis, radiolabeling, and preliminary biological evaluation of [3H]-1-[(S)-N,O-bis-(isoquinolinesulfonyl)-N-methyl-tyrosyl]-4-(o-tolyl)-piperazine, a potent antagonist radioligand for the P2X7 receptor.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q21835wj
title: BindingDB Entry 50013724: Structure-activity relationships within a series of caspase inhibitors: effect of leaving group modifications.

description: Small molecule binding data for protein Caspase-1 and Caspase-3, Uniprot P29452 and P42574
DOI: 10.7270/q21c1w36
title: BindingDB Entry 50009533: Water-soluble phosphate prodrugs of 1-propargyl-8-styrylxanthine derivatives, A(2A)-selective adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, P29275, P30542, and P30543
DOI: 10.7270/q21n80mk
title: BindingDB Entry 50015424: Structural characterization and pharmacology of a potent (Cys101-Cys119, Cys110-Cys117) bicyclic agouti-related protein (AGRP) melanocortin receptor antagonist.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, and Melanocortin receptor 4, Uniprot P33033, P56450, and Q01727
DOI: 10.7270/q2251hgt
title: BindingDB Entry 50011738: A new class of type I protein geranylgeranyltransferase (GGTase I) inhibitor.

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/q2280754
title: BindingDB Entry 50017374: Hydantoin derivatives as non-peptidic inhibitors of Ras farnesyl transferase.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q237789z
title: BindingDB Entry 50017359: Fluorescent non-imidazole histamine H3 receptor ligands with nanomolar affinities.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q24x576n
title: BindingDB Entry 50013723: Synthesis and structure-activity relationships of thieno[2,3-d]pyrimidine-2,4-dione derivatives as potent GnRH receptor antagonists.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1) and Gonadotropin-releasing hormone receptor, Uniprot P30968 and P30969
DOI: 10.7270/q2513xfn
title: BindingDB Entry 50009532: Synthesis and in vitro and in vivo functional studies of ortho-substituted phenylpiperazine and N-substituted 4-N-(o-methoxyphenyl)aminopiperidine analogues of WAY100635.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P19327
DOI: 10.7270/q25d8r9g
title: BindingDB Entry 50015419: A cyclopent-2-enecarbonyl group mimics proline at the P2 position of prolyl oligopeptidase inhibitors.

description: Small molecule binding data for protein Prolyl endopeptidase, Uniprot P23687
DOI: 10.7270/q25x287p
title: BindingDB Entry 50011736: A novel series of hybrid compounds derived by combining 2-aminotetralin and piperazine fragments: binding activity at D2 and D3 receptors.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2610zw2
title: BindingDB Entry 50017373: Optimization of 2,4-diaminopyrimidines as GHS-R antagonists: side chain exploration.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q27s7n5g
title: BindingDB Entry 50013750: Nortropinyl-arylsulfonylureas as novel, reversible inhibitors of human steroid sulfatase.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q28p5zw4
title: BindingDB Entry 50013722: 4-(2-pyridyl)piperazine-1-carboxamides: potent vanilloid receptor 1 antagonists.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q28s4p4m
title: BindingDB Entry 50009530: Syntheses and structure-activity relationships of 5,6,7, 8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxaline derivatives with retinoic acid receptor alpha agonistic activity.

description: Small molecule binding data for protein Retinoid X receptor gamma/retinoic acid receptor alpha and Retinoid receptor, Uniprot P10276, P10826, and P13631
DOI: 10.7270/q2959h16
title: BindingDB Entry 50015417: Identification of a selective inverse agonist for the orphan nuclear receptor estrogen-related receptor alpha.

description: Small molecule binding data for protein Estrogen-related receptor alpha, Uniprot P11474
DOI: 10.7270/q29p30z0
title: BindingDB Entry 50011734: The discovery of acylated beta-amino acids as potent and orally bioavailable VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q29s1qmg
title: BindingDB Entry 50017371: Synthesis and SAR of highly potent and selective dopamine D3-receptor antagonists: variations on the 1H-pyrimidin-2-one theme.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2cf9phx
title: BindingDB Entry 50013747: Pyrazino[1,2-a]indole-1,4-diones, simple analogues of gliotoxin, as selective inhibitors of geranylgeranyltransferase I.

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/q2dj5dvx
title: BindingDB Entry 50009528: Derivation of pharmacophore and CoMFA models for leukotriene D(4) receptor antagonists of the quinolinyl(bridged)aryl series.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q2dz07s6
title: BindingDB Entry 50015416: 1,2,3,4-Tetrahydroquinoline-containing alphaVbeta3 integrin antagonists with enhanced oral bioavailability.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P06756, P08514, and P18084
DOI: 10.7270/q2ff3rpb
title: BindingDB Entry 50011732: Synthesis of 5,6-dihydro-11H-benzo[5,6]-cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidine-N-cyanoguanidine derivatives as inhibitors of ras farnesyl protein transferase.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q2fj2gb6
title: BindingDB Entry 50017370: Synthesis of alpha-substituted fosmidomycin analogues as highly potent Plasmodium falciparum growth inhibitors.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568
DOI: 10.7270/q2h70f6r
title: BindingDB Entry 50013738: New prolyl oligopeptidase inhibitors developed from dicarboxylic acid bis(l-prolyl-pyrrolidine) amides.

description: Small molecule binding data for protein Prolyl endopeptidase, Uniprot P23687
DOI: 10.7270/q2h994dt
title: BindingDB Entry 50009559: The PPARs: from orphan receptors to drug discovery.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor alpha (PPAR alpha), Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor delta (PPAR delta), and Peroxisome proliferator-activated receptor gamma, Uniprot P23204, P35396, P37231, P37238, Q03181, and Q07869
DOI: 10.7270/q2j965m3
title: BindingDB Entry 50009526: Design and synthesis of piperazine-based matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08254, P09237, P14780, and P45452
DOI: 10.7270/q2jq10hx
title: BindingDB Entry 50015412: Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, inducible, and Nitric-oxide synthase (endothelial and brain), Uniprot P29475 and P35228
DOI: 10.7270/q2k64hcm
title: BindingDB Entry 50011729: Encounter with unexpected collagenase-1 selective inhibitor: switchover of inhibitor binding pocket induced by fluorine atom.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08254, and P14780
DOI: 10.7270/q2k64hpn
title: BindingDB Entry 50017369: Beta-diketo acids with purine nucleobase scaffolds: novel, selective inhibitors of the strand transfer step of HIV integrase.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2n015x2
title: BindingDB Entry 50013737: The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues.

description: Small molecule binding data for protein Heart phosphodiesterase, Phosphodiesterase 1, Phosphodiesterase 4, Phosphodiesterase 5A, Phosphodiesterase 6, and cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408, P04972, P11541, P14100, P16586, P22571, P23439, P27815, Q01061, Q07343, Q08493, Q08499, Q28156, and Q95142
DOI: 10.7270/q2pg1r78
title: BindingDB Entry 50015411: Bridgehead modification of trihalocycloheptabenzopyridine leads to a potent farnesyl protein transferase inhibitor with improved oral metabolic stability.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT) Chain B, Uniprot P49356
DOI: 10.7270/q2pv6jp9
title: BindingDB Entry 50011727: Studies on quinazolinones as dual inhibitors of Pgp and MRP1 in multidrug resistance.

description: Small molecule binding data for protein Multidrug resistance-associated protein 1 and P-glycoprotein 1 and 3 (MDR1a/MDR1b), Uniprot P06795 and P33527
DOI: 10.7270/q2pz58d2
title: BindingDB Entry 50017368: Kinesin spindle protein (KSP) inhibitors. Part 3: synthesis and evaluation of phenolic 2,4-diaryl-2,5-dihydropyrroles with reduced hERG binding and employment of a phosphate prodrug strategy for aqueous solubility.

description: Small molecule binding data for protein Kinesin-like protein 1 and Voltage-gated potassium channel, Uniprot P52732 and Q12809
DOI: 10.7270/q2rr1xn3
title: BindingDB Entry 50013731: Trisubstituted acridine derivatives as potent and selective telomerase inhibitors.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2rv0mxm
title: BindingDB Entry 50009553: Novel Dmt-Tic dipeptide analogues as selective delta-opioid receptor antagonists.

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/q2t72gx4
title: BindingDB Entry 50015408: Tetrahydroisoquinoline derivatives as melatonin MT2 receptor antagonists.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2tm79d1
title: BindingDB Entry 50011723: Design and synthesis of peptide-based carboxylic acid-containing transition-state inhibitors of human neutrophil elastase.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2tq613b
title: BindingDB Entry 50017367: First dual M3 antagonists-PDE4 inhibitors: synthesis and SAR of 4,6-diaminopyrimidine derivatives.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor and Muscarinic acetylcholine receptor M3, Uniprot P20309
DOI: 10.7270/q2wh2pd8
title: BindingDB Entry 50013730: Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability.

description: Small molecule binding data for protein Acetylcholinesterase, Human herpes virus 5 capsid protein P40, Human rhinovirus A protease, and Prothrombin, Uniprot P00734, P16753, and P22303
DOI: 10.7270/q2wm1cnb
title: BindingDB Entry 50009539: New selective and potent 5-HT(1B/1D) antagonists: chemistry and pharmacological evaluation of N-piperazinylphenyl biphenylcarboxamides and biphenylsulfonamides.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1D, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P19327, P28221, P28564, and P31645
DOI: 10.7270/q2xd110x
title: BindingDB Entry 50011740: Substituted N-(3,5-dichlorobenzenesulfonyl)-L-prolyl-phenylalanine analogues as potent VLA-4 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4 and Integrin alpha-4/beta7, Uniprot P05556, P13612, and P26010
DOI: 10.7270/q2xk8ds5
title: BindingDB Entry 50009523: alpha-Substituted N-(sulfonamido)alkyl-beta-aminotetralins: potent and selective neuropeptide Y Y5 receptor antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot Q15761
DOI: 10.7270/q2xw4j94
title: BindingDB Entry 50015406: Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 2: 4-thiopyridyl acetophenones as non-tetrazole containing mGlu2 receptor potentiators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q2zg6rt8
title: BindingDB Entry 50017366: Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q20864r5
title: BindingDB Entry 50013752: Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme.

description: Small molecule binding data for protein β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH), Uniprot P9WNG3
DOI: 10.7270/q20c4v08
title: BindingDB Entry 50009574: A new class of conformationally rigid analogues of 4-amino-5-halopentanoic acids, potent inactivators of gamma-aminobutyric acid aminotransferase.

description: Small molecule binding data for protein Gamma-amino-N-butyrate transaminase, Uniprot P80147
DOI: 10.7270/q20r9nw4
title: BindingDB Entry 50015449: 5-substituted tetrazoles as bioisosteres of carboxylic acids. Bioisosterism and mechanistic studies on glutathione reductase inhibitors as antimalarials.

description: Small molecule binding data for protein Glutathione reductase and Glutathione reductase (GR), Uniprot O15770 and P00390
DOI: 10.7270/q2154gbf
title: BindingDB Entry 50011759: Identification of novel inhibitors of the transforming growth factor beta1 (TGF-beta1) type 1 receptor (ALK5).

description: Small molecule binding data for protein TGF-beta receptor type I, Uniprot P36897
DOI: 10.7270/q2183626
title: BindingDB Entry 50017388: Amiodarone has intrinsic anti-Trypanosoma cruzi activity and acts synergistically with posaconazole.

description: Small molecule binding data for protein Squalene monooxygenase and Squalene synthetase, Uniprot P37268 and Q14534
DOI: 10.7270/q2319v9p
title: BindingDB Entry 50013776: Synthesis and biological evaluation of 4-[(3-methyl-3H-imidazol-4-yl)-(2-phenylethynyl-benzyloxy)-methyl]-benzonitrile as novel farnesyltransferase inhibitor.

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/q2416wgh
title: BindingDB Entry 50013751: Biological evaluation of sphingomyelin analogues as inhibitors of sphingomyelinase.

description: Small molecule binding data for protein Neutral sphingomyelinase, Uniprot Q9ET64
DOI: 10.7270/q2445kp4
title: BindingDB Entry 50009572: Benzyl derivatives of 2,1,3-benzo- and benzothieno[3,2-a]thiadiazine 2,2-dioxides: first phosphodiesterase 7 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 7, Uniprot Q13946
DOI: 10.7270/q24f1q63
title: BindingDB Entry 50015448: Tetrahydrobiopterin binding to aromatic amino acid hydroxylases. Ligand recognition and specificity.

description: Small molecule binding data for protein Phenylalanine-4-hydroxylase, Uniprot P00439
DOI: 10.7270/q24x572v
title: BindingDB Entry 50011754: Evolution, synthesis and SAR of tripeptide alpha-ketoacid inhibitors of the hepatitis C virus NS3/NS4A serine protease.

description: Small molecule binding data for protein Genome polyprotein and Hepatitis C virus serine protease, NS3/NS4A, Uniprot P26664 and Q4JMH3 A3EZI9
DOI: 10.7270/q2513xs4
title: BindingDB Entry 50017386: Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P61169
DOI: 10.7270/q26t0m1n
title: BindingDB Entry 50013774: Structure-activity relationship of triaryl propionic acid analogues on the human EP3 prostanoid receptor.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34995, P35408, P43088, P43115, P43116, and P43119
DOI: 10.7270/q27s7n07
title: BindingDB Entry 50009568: Synthesis, biodistribution, and primate imaging of fluorine-18 labeled 2beta-carbo-1'-fluoro-2-propoxy-3beta-(4-chlorophenyl)tr opanes. Ligands for the imaging of dopamine transporters by positron emission tomography.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent dopamine transporter, Uniprot P31645 and Q01959
DOI: 10.7270/q2862fwz
title: BindingDB Entry 50015442: Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K.

description: Small molecule binding data for protein Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P25774, and P43235
DOI: 10.7270/q28p5zss
title: BindingDB Entry 50011753: A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCV NS3 protease.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q28s4phj
title: BindingDB Entry 50017385: Novel benzodiazepine photoaffinity probe stereoselectively labels a site deep within the membrane-spanning domain of the cholecystokinin receptor.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551
DOI: 10.7270/q2bk1bj8
title: BindingDB Entry 50009591: N-formyl hydroxylamine containing dipeptides: generation of a new class of vasopeptidase inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neutral Endopeptidase (NEP), Uniprot P07861 and P12822
DOI: 10.7270/q2bk1bqh
title: BindingDB Entry 50013769: The acute EPS of haloperidol may be unrelated to its metabolic transformation to BCPP+.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P14416, P21917, and P35462
DOI: 10.7270/q2cf9pdk
title: BindingDB Entry 50011777: Synthesis of an alpha-fucosidase inhibitor, 5a-carba-beta-L-fucopyranosylamine, and fucose-type alpha- and beta-DL-valienamine unsaturated derivatives.

description: Small molecule binding data for protein Alpha-L-fucosidase I, Uniprot P04066
DOI: 10.7270/q2cj8cp3
title: BindingDB Entry 50009562: Opiate aromatic pharmacophore structure-activity relationships in CTAP analogues determined by topographical bias, two-dimensional NMR, and biological activity assays.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q2cz36mc
title: BindingDB Entry 50015441: An orally bioavailable, functionally selective inverse agonist at the benzodiazepine site of GABAA alpha5 receptors with cognition enhancing properties.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, GABA receptor alpha-4/beta-3/gamma-2 subunit, GABA receptor alpha-5/beta-3/gamma-2 subunit, and GABA receptor alpha-6/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, P47869, P48169, and Q16445
DOI: 10.7270/q2df6qhh
title: BindingDB Entry 50011748: CCR5 antagonists: bicyclic isoxazolidines as conformationally constrained N-1-substituted pyrrolidines.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2dj5f78
title: BindingDB Entry 50017384: Identification of a novel spiropiperidine opioid receptor-like 1 antagonist class by a focused library approach featuring 3D-pharmacophore similarity.

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/q2g73d48
title: BindingDB Entry 50013765: The total synthesis of an aurone isolated from Uvaria hamiltonii: aurones and flavones as anticancer agents.

description: Small molecule binding data for protein Tubulin, Uniprot P02550