cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2qn66r9
title: BindingDB Entry 50029496: TBA

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C, PKC; classical/novel, and Protein kinase C, epsilon, Uniprot P05771, P17252, Q02156, and Q05655
DOI: 10.7270/q2vd6zdr
title: BindingDB Entry 50029494: TBA

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase
DOI: 10.7270/q2x066wd
title: BindingDB Entry 50028131: Identification of a series of benzoxazoles as potent 5-HT6 ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2z03816
title: BindingDB Entry 50028104: Design, synthesis, and evaluation of potent, nonpeptidic mimetics of second mitochondria-derived activator of caspases.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170, Q13489, and Q13490
DOI: 10.7270/q2z89c6q
title: BindingDB Entry 50026215: Discovery of imidazo[1,5-c]imidazol-3-ones: weakly basic, orally active factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, Prothrombin, and Tissue-type plasminogen activator, Uniprot P00734, P00742, P00747, and P00750
DOI: 10.7270/q20r9p8g
title: BindingDB Entry 50028151: Bis(hetero)aryl derivatives as unique kinesin spindle protein inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q20z7396
title: BindingDB Entry 50030536: Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q22z15h2
title: BindingDB Entry 50029502: TBA

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P32239 and Q63931
DOI: 10.7270/q24j0f0r
title: BindingDB Entry 50028145: Design, synthesis and biological evaluation of novel dual inhibitors of acetylcholinesterase and beta-secretase.

description: Small molecule binding data for protein Acetylcholinesterase and Beta-secretase 1, Uniprot P37136 and P56817
DOI: 10.7270/q24q7v1j
title: BindingDB Entry 50030535: Optimization of piperidin-4-yl-urea-containing melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Reducing hERG-associated liabilities.

description: Small molecule binding data for protein Cytochrome P450 3A, Melanin-concentrating hormone receptor, and Voltage-gated potassium channel, Uniprot P08684, Q12809, and Q99705
DOI: 10.7270/q24t6j6q
title: BindingDB Entry 50026266: Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase VIII, Uniprot P27487 and Q6V1X1
DOI: 10.7270/q25q4w2k
title: BindingDB Entry 50029513: TBA

description: Small molecule binding data for protein Human rhinovirus A protease
DOI: 10.7270/q28915rh
title: BindingDB Entry 50028144: Taste-guided identification of high potency TRPA1 agonists from Perilla frutescens.

description: Small molecule binding data for protein Transient receptor potential M8 protein (TRPM8) and Transient receptor potential cation channel subfamily A member 1, Uniprot Q6RI86 and Q8R455
DOI: 10.7270/q28g8krv
title: BindingDB Entry 50030534: Rapid assessment of a novel series of selective CB(2) agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q28k78wk
title: BindingDB Entry 50026263: Design, synthesis and characterization of N9/N7-substituted 6-aminopurines as VEGF-R and EGF-R inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, 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 P00533, P04626, P12931, P35916, P35968, Q02763, and Q96GD4
DOI: 10.7270/q29c6xd1
title: BindingDB Entry 50029512: TBA

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C iota type/zeta type, Protein kinase C, PKC; classical/novel, Protein kinase C, epsilon, Protein kinase C, eta, and Protein kinase C, gamma, Uniprot P05129, P05771, P17252, P24723, Q02156, Q05513, and Q05655
DOI: 10.7270/q2d21xgv
title: BindingDB Entry 50028138: Development of 3-substituted-1H-indole derivatives as NR2B/NMDA receptor antagonists.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot Q00960
DOI: 10.7270/q2d79bgk
title: BindingDB Entry 50030533: Structure-based virtual screening approach to identify novel classes of Cdc25B phosphatase inhibitors.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Protein-tyrosine phosphatase 1, Protein-tyrosine phosphatase 1B, and phosphatase Cdc25, Uniprot P18031, P25044, P30304, and P30305
DOI: 10.7270/q2db81m9
title: BindingDB Entry 50026261: A class of potent tyrosinase inhibitors: alkylidenethiosemicarbazide compounds.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2f47p39
title: BindingDB Entry 50029511: TBA

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2g44q7p
title: BindingDB Entry 50029498: TBA

description: Small molecule binding data for protein Glucagon receptor, Uniprot P30082
DOI: 10.7270/q2j1036v
title: BindingDB Entry 50030531: Fenbufen based 3-[5-(substituted aryl)-1,3,4-oxadiazol-2-yl]-1-(biphenyl-4-yl)propan-1-ones as safer antiinflammatory and analgesic agents.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2j38sbn
title: BindingDB Entry 50026258: Novel benzimidazole derivatives as selective CB2 agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2jw8dvr
title: BindingDB Entry 50029510: TBA

description: Small molecule binding data for protein Leukotriene B4 receptor, Uniprot Q15722 and Q9NPC1
DOI: 10.7270/q2mk6crr
title: BindingDB Entry 50028157: 13-Methyl-substituted des-C,D analogs of (20S)-1alpha,25-dihydroxy-2-methylene-19-norvitamin D3 (2MD): synthesis and biological evaluation.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q2ms3stj
title: BindingDB Entry 50030539: Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Histamine receptor (H3), Uniprot P05177, P08684, P10635, P11712, P33261, and Q9Y5N1
DOI: 10.7270/q2ng4qgt
title: BindingDB Entry 50028134: Synthesis and evaluation of ligands for D2-like receptors: the role of common pharmacophoric groups.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Dopamine receptors; D2 & D4, Uniprot P08908, P14416, P21917, P28223, P28335, and P35462
DOI: 10.7270/q2np24g3
title: BindingDB Entry 50030530: Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening.

description: Small molecule binding data for protein Enoyl-ACP Reductase (InhA), Uniprot P9WGR1
DOI: 10.7270/q2nv9j22
title: BindingDB Entry 50026253: 1-[(Imidazolidin-2-yl)imino]indazole. Highly alpha 2/I1 selective agonist: synthesis, X-ray structure, and biological activity.

description: Small molecule binding data for protein Imidazoline I1, Uniprot Q4G017
DOI: 10.7270/q2pn95mx
title: BindingDB Entry 50029508: TBA

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2r78f3m
title: BindingDB Entry 50028155: Novel 1,4-diarylpiperidine-4-methylureas as anti-hyperlipidemic agents: dual effectors on acyl-CoA:cholesterol O-acyltransferase and low-density lipoprotein receptor expression.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Uniprot P35610
DOI: 10.7270/q2s75g53
title: BindingDB Entry 50028133: Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2sf2w6f
title: BindingDB Entry 50030529: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1 and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519 and P12931
DOI: 10.7270/q2sn08sx
title: BindingDB Entry 50026250: Synthesis of 3',4'-epoxynoraristeromycin analogs for molecular labeling probe of S-adenosyl-l-homocysteine hydrolase.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2td9xb8
title: BindingDB Entry 50029504: TBA

description: Small molecule binding data for protein Trypanothione reductase, Uniprot P28593
DOI: 10.7270/q2w095sg
title: BindingDB Entry 50028153: The design and discovery of novel amide CCR5 antagonists.

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/q2x63n02
title: BindingDB Entry 50030528: Inhibition of Pseudomonas aeruginosa quorum sensing by AI-2 analogs.

description: Small molecule binding data for protein Autoinducer 2-binding periplasmic protein luxP, Uniprot P54300
DOI: 10.7270/q2xd11g6
title: BindingDB Entry 50026245: Design, synthesis, and structure-activity relationship study of a novel class of ORL1 receptor antagonists based on N-biarylmethyl spiropiperidine.

description: Small molecule binding data for protein Kappa-type opioid receptor, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P35372, P41145, and Q12809
DOI: 10.7270/q2z60p2j
title: BindingDB Entry 50029503: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2000247
title: BindingDB Entry 50030544: Aziridine alkaloids as potential therapeutic agents.

description: Small molecule binding data for protein Aspartase and Fumarate hydratase, mitochondrial, Uniprot P10173
DOI: 10.7270/q2057fqs
title: BindingDB Entry 50026291: Design, synthesis, and biological evaluation of novel 3-aryl-4-(1H-indole-3yl)-1,5-dihydro-2H-pyrrole-2-ones as vascular endothelial growth factor receptor (VEGF-R) inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Casein Kinase II, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Ephrin type-B receptor 4 (EphB4), Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Mitogen-activated protein kinase kinase kinase 8, NUAK family SNF1-like kinase 1, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PLK4, Tyrosine-protein kinase receptor FLT3, 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 O00444, O14965, O60285, P00533, P04626, P06213, P08069, P08581, P09619, P11802, P12931, P24941, P35916, P35968, P36888, P41279, P54760, P68400, Q02763, Q05397, Q541P7, and Q96GD4
DOI: 10.7270/q2154gtq
title: BindingDB Entry 50026269: Design, synthesis and evaluation of isaindigotone derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q21z44d4
title: BindingDB Entry 50029514: TBA

description: Small molecule binding data for protein Leukocyte elastase and Pancreatic elastase, Uniprot P08246 and P08419
DOI: 10.7270/q23j3cvz
title: BindingDB Entry 50028164: Synthesis of new analogs of benzotriazole, benzimidazole and phthalimide--potential inhibitors of human protein kinase CK2.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P68400
DOI: 10.7270/q23r0sxr
title: BindingDB Entry 50030543: Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q23x86dr
title: BindingDB Entry 50026288: Sodium late current blockers in ischemia reperfusion: is the bullet magic?

description: Small molecule binding data for protein Voltage-gated sodium channel subunit Nav1.5, Uniprot Q14524
DOI: 10.7270/q27944kp
title: BindingDB Entry 50028162: 5-Aryl-4-(5-substituted-2,4-dihydroxyphenyl)-1,2,3-thiadiazoles as inhibitors of Hsp90 chaperone.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q27h1jng
title: BindingDB Entry 50030542: Discovery of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q27m07rr
title: BindingDB Entry 50026285: Novel gamma-aminobutyric acid rho1 receptor antagonists; synthesis, pharmacological activity and structure-activity relationships.

description: Small molecule binding data for protein GABA B and GABA-C receptor, Uniprot P24046 and Q9UBS5
DOI: 10.7270/q28g8knh
title: BindingDB Entry 50029522: TBA

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2c24wbg
title: BindingDB Entry 50028160: Non-urea functionality as the primary pharmacophore in soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2c829c6
title: BindingDB Entry 50030541: Design, synthesis and evaluation of aspirin analogues having an additional carboxylate substituent for antithrombotic activity.

description: Small molecule binding data for protein Cyclooxygenase-1 (COX-1), Uniprot P23219
DOI: 10.7270/q2cc10gg
title: BindingDB Entry 50026283: Exploring the substituent effects on a novel series of C1'-dimethyl-aryl Delta8-tetrahydrocannabinol analogs.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2d50mxm
title: BindingDB Entry 50029521: TBA

description: Small molecule binding data for protein PKC alpha and beta-2 and Protein kinase C (PKC), Uniprot P05696, P05771, P09216, P63319, and P68403
DOI: 10.7270/q2gt5n2w
title: BindingDB Entry 50028159: Discovery of mu-opioid selective ligands derived from 1-aminotetralin scaffolds made via metal-catalyzed ring-opening reactions.

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/q2h1323x
title: BindingDB Entry 50030540: Diaminocyclobutenediones as potent and orally bioavailable CXCR2 receptor antagonists: SAR in the phenolic amide region.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1) and Interleukin-8 receptors, CXCR2, Uniprot P25024 and P25025
DOI: 10.7270/q2h41r6t
title: BindingDB Entry 50026277: First synthesis of alpha-aminoalkyl-(N-substituted)thiocarbamoyl-phosphinates: inhibitors of aminopeptidase N (APN/CD13) with the new zinc-binding group.

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15145
DOI: 10.7270/q2hx1cmk
title: BindingDB Entry 50029520: TBA

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q2kk9bnt
title: BindingDB Entry 50028179: Studies on depigmenting activities of dihydroxyl benzamide derivatives containing adamantane moiety.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2ks6rm8
title: BindingDB Entry 50030547: Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H1 receptor, Muscarinic acetylcholine receptor M1, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11229, P35367, and Q12809
DOI: 10.7270/q2mw2gxt
title: BindingDB Entry 50026276: Effect of some P-glycoprotein modulators on Rhodamine-123 absorption in guinea-pig ileum.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2np24cr
title: BindingDB Entry 50029519: TBA

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2rf5v22
title: BindingDB Entry 50030538: Prolonged stability by cyclization: Macrocyclic phosphino dipeptide isostere inhibitors of beta-secretase (BACE1).

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2rn37nj
title: BindingDB Entry 50026275: Potent and selective small-molecule human urotensin-II antagonists with improved pharmacokinetic profiles.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Kappa-type opioid receptor, and Urotensin II receptor, Uniprot P08684, P10635, P41145, and Q9UKP6
DOI: 10.7270/q2sf2w4j
title: BindingDB Entry 50029518: TBA

description: Small molecule binding data for protein Angiotensin II AT1B and Angiotensin II type 1a (AT-1a) receptor, Uniprot P25104 and P29089
DOI: 10.7270/q2v124p3
title: BindingDB Entry 50028172: Discovery of N-{[1-(propylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl}benzamides as novel, selective and potent GlyT1 inhibitors.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, and Sodium- and chloride-dependent taurine transporter, Uniprot P31641, P48067, and Q9Y345
DOI: 10.7270/q2vd6z7h
title: BindingDB Entry 50026300: Identification of 4-benzylamino-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide derivatives as potent and orally bioavailable STAT6 inhibitors.

description: Small molecule binding data for protein Signal transducer and activator of transcription 6, Uniprot P42226
DOI: 10.7270/q2w66ksc
title: BindingDB Entry 50030537: Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2wd40c8
title: BindingDB Entry 50026273: Development of a novel fluorescent probe for fluorescence correlation spectroscopic detection of kinase inhibitors.

description: Small molecule binding data for protein Apoptosis Signal-regulating Kinase 1 (ASK1), Uniprot Q99683
DOI: 10.7270/q2x63mxr
title: BindingDB Entry 50029515: TBA

description: Small molecule binding data for protein Beta-lactamase 1, Uniprot P00809
DOI: 10.7270/q2zs2wcp
title: BindingDB Entry 50028167: Time-dependent inactivation of human phenylethanolamine N-methyltransferase by 7-isothiocyanatotetrahydroisoquinoline.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P11086
DOI: 10.7270/q20z7379
title: BindingDB Entry 50029525: TBA

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q22j6bqk
title: BindingDB Entry 50028189: Molecular hybridization, synthesis, and biological evaluation of novel chroman I(Kr) and I(Ks) dual blockers.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and Voltage-gated potassium channel subunit Kv7.1, Uniprot O08703 and O70344
DOI: 10.7270/q22r3rqg
title: BindingDB Entry 50030554: Imidazopyridine derivatives as potent and selective Polo-like kinase (PLK) inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, and Serine/threonine-protein kinase PLK3, Uniprot P53350, Q9H4B4, and Q9NYY3
DOI: 10.7270/q22z15c8
title: BindingDB Entry 50026313: Protein subtype-targeting through ligand epimerization: talose-selectivity of galectin-4 and galectin-8.

description: Small molecule binding data for protein Galectin-1, Galectin-2, and Galectin-3, Uniprot P05162, P09382, and P17931
DOI: 10.7270/q24q7tz7
title: BindingDB Entry 50029524: TBA

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q26973f9
title: BindingDB Entry 50028183: Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A2a, Uniprot P29274 and P30542
DOI: 10.7270/q26h4hf6
title: BindingDB Entry 50030553: FXR agonist activity of conformationally constrained analogs of GW 4064.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q26q1x25
title: BindingDB Entry 50026312: Discovery of potent, orally active benzimidazole glucagon receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Gastric inhibitory polypeptide, Glucagon, Glucagon receptor, and Voltage-gated potassium channel, Uniprot P01275, P08684, P09681, P10635, P11712, P47871, and Q12809
DOI: 10.7270/q27h1jkk
title: BindingDB Entry 50029533: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2b27v5n
title: BindingDB Entry 50028181: Discovery of GlyT1 inhibitors with improved pharmacokinetic properties.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, and Sodium- and chloride-dependent taurine transporter, Uniprot P31641, P48067, and Q9Y345
DOI: 10.7270/q2b8585x
title: BindingDB Entry 50030552: Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin D, Uniprot P07339 and P56817
DOI: 10.7270/q2bg2nsg
title: BindingDB Entry 50026310: Microwave-assisted synthesis of 5-aminopyrazol-4-yl ketones and the p38(MAPK) inhibitor RO3201195 for study in Werner syndrome cells.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and Mitogen-activated protein kinase 9, Uniprot P45984 and Q16539
DOI: 10.7270/q2c8298v
title: BindingDB Entry 50029532: TBA

description: Small molecule binding data for protein Acyl-CoA:cholesterol acyltransferase