cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2w37z2v
title: BindingDB Entry 50045928: Metabolism of the c-Fos/activator protein-1 inhibitor T-5224 by multiple human UDP-glucuronosyltransferase isoforms.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-3, UDP-glucuronosyltransferase 1-8, and Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot P22309, P35503, and Q9HAW9
DOI: 10.7270/q2wq05rv
title: BindingDB Entry 50047981: Novel and High Affinity 2-[(Diphenylmethyl)sulfinyl]acetamide (Modafinil) Analogues as Atypical Dopamine Transporter Inhibitors.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Monoamine transporters; Norepinephrine & dopamine, Sigma-1 receptor, and Sodium-dependent serotonin transporter, Uniprot P14416, P21917, P23977, P31652, P35462, Q01959, and Q60492
DOI: 10.7270/q2ww7kjh
title: BindingDB Entry 50046953: From Sphingosine Kinase to Dihydroceramide Desaturase: A Structure-Activity Relationship (SAR) Study of the Enzyme Inhibitory and Anticancer Activity of 4-((4-(4-Chlorophenyl)thiazol-2-yl)amino)phenol (SKI-II).

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1) and Sphingosine kinase types 2 (SphK2), Uniprot Q9NRA0 and Q9NYA1
DOI: 10.7270/q2x92d7z
title: BindingDB Entry 50047470: Discovery of Novel Indoline Cholesterol Ester Transfer Protein Inhibitors (CETP) through a Structure-Guided Approach.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2xg9swd
title: BindingDB Entry 50046442: Discovery of Biaryl Amides as Potent, Orally Bioavailable, and CNS Penetrant ROR¿t Inhibitors.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449 and Q6I9R9
DOI: 10.7270/q20g3n47
title: BindingDB Entry 50047988: Discovery of Cell-Permeable O-GlcNAc Transferase Inhibitors via Tethering in Situ Click Chemistry.

description: Small molecule binding data for protein O-GlcNAc Transferase (OGT) and Polypeptide N-acetylgalactosaminyltransferase 2, Uniprot O15294
DOI: 10.7270/q2125vkg
title: BindingDB Entry 50047477: Discovery of G Protein-Biased EP2 Receptor Agonists.

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, and Prostanoid IP receptor, Uniprot P34995, P35408, P43088, P43115, P43116, and P43119
DOI: 10.7270/q23n254q
title: BindingDB Entry 50045934: Sequential metabolism of AMG 487, a novel CXCR3 antagonist, results in formation of quinone reactive metabolites that covalently modify CYP3A4 Cys239 and cause time-dependent inhibition of the enzyme.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2474cvj
title: BindingDB Entry 50047987: Fluorescent Inhibitors as Tools To Characterize Enzymes: Case Study of the Lipid Kinase Phosphatidylinositol 4-Kinase IIIß (PI4KB).

description: Small molecule binding data for protein Phosphatidylinositol 4-kinase, PI4K, Uniprot Q9UBF8
DOI: 10.7270/q24f1skv
title: BindingDB Entry 50046959: Receptor binding profiles and quantitative structure-affinity relationships of some 5-substituted-N,N-diallyltryptamines.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Histamine receptor (H3), Kappa-type opioid receptor, Mu-type opioid receptor, Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P08913, P14416, P18089, P18825, P23975, P25100, P28221, P28222, P28223, P28335, P28566, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41145, P41595, P47898, P50406, Q01959, Q4W594, Q99720, and Q9Y5N1
DOI: 10.7270/q24t6m8f
title: BindingDB Entry 50047476: Identification of a Small Molecule Cyclophilin D Inhibitor for Rescuing Aß-Mediated Mitochondrial Dysfunction.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase D, Uniprot Q08752
DOI: 10.7270/q251410f
title: BindingDB Entry 50046448: Systematic Backbone Conformational Constraints on a Cyclic Melanotropin Ligand Leads to Highly Selective Ligands for Multiple Melanocortin Receptors.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q27d2wvn
title: BindingDB Entry 50045933: Characterization of the in vitro and in vivo metabolism and disposition and cytochrome P450 inhibition/induction profile of saxagliptin in human.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, and Cytochrome P450 3A, Uniprot P05177, P05181, P08684, P10632, P10635, P11509, P11712, P20813, and P33261
DOI: 10.7270/q2833twv
title: BindingDB Entry 50046958: Evaluation of phenylcyclopropylamine compounds by enzymatic assay of lysine-specific demethylase 2 in the presence of NPAC peptide.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A and Lysine-specific histone demethylase 1B, Uniprot O60341 and Q8NB78
DOI: 10.7270/q28g8nmw
title: BindingDB Entry 50047475: Discovery and Preclinical Evaluation of BMS-955829, a Potent Positive Allosteric Modulator of mGluR5.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Metabotropic glutamate receptor, Metabotropic glutamate receptor 5, and Progesterone receptor, Uniprot P06401, P31424, P40989, and P41594
DOI: 10.7270/q28p6294
title: BindingDB Entry 50046447: Novel inhibitor against Malassezia globosa LIP1 (SMG1), a potential anti-dandruff target.

description: Small molecule binding data for protein LIP1, secretory lipase (Family 3)
DOI: 10.7270/q2c24z52
title: BindingDB Entry 50045932: In vitro and in vivo metabolism and pharmacokinetics of BMS-562086, a potent and orally bioavailable corticotropin-releasing factor-1 receptor antagonist.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1 and corticotropin releasing factor-binding protein, Uniprot P24387 and P34998
DOI: 10.7270/q2cv4kkt
title: BindingDB Entry 50046957: Potentµ-Opioid Receptor Agonists from Cyclic Peptides Tyr-c[D-Lys-Xxx-Tyr-Gly]: Synthesis, Biological, and Structural Evaluation.

description: Small molecule binding data for protein Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, and P41144
DOI: 10.7270/q2gf0wgg
title: BindingDB Entry 50047992: Development, synthesis and structure-activity-relationships of inhibitors of the macrophage infectivity potentiator (Mip) proteins of Legionella pneumophila and Burkholderia pseudomallei.

description: Small molecule binding data for protein Outer membrane protein MIP, Uniprot Q70YI1
DOI: 10.7270/q2gt5pw2
title: BindingDB Entry 50045931: Selective mechanism-based inactivation of CYP3A4 by CYP3cide (PF-04981517) and its utility as an in vitro tool for delineating the relative roles of CYP3A4 versus CYP3A5 in the metabolism of drugs.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Cytochrome P450 3A5 (CYP3A5), and Cytochrome P450 3A7, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P20815, P24462, and P33261
DOI: 10.7270/q2hm5b83
title: BindingDB Entry 50046956: Novel morpholine scaffolds as selective dopamine (DA) D3 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11229, P11712, P14416, P19020, P20309, P21728, P21917, P33261, P35462, and Q12809
DOI: 10.7270/q2j1052w
title: BindingDB Entry 50047473: Discovery of Aryl Sulfonamides as Isoform-Selective Inhibitors of NaV1.7 with Efficacy in Rodent Pain Models.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sodium channel alpha subunit, Sodium channel protein type 9 subunit alpha, Sodium channel protein type IX alpha subunit, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1), Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Voltage-gated sodium channel subunit alpha Nav1.3 (Nav1.3), Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), and Voltage-gated sodium channel subunit alpha Nav1.8, Uniprot O08562, P05177, P08684, P10635, P11712, P33261, P35498, P35499, Q14524, Q15858, Q62205, Q99250, Q9NY46, Q9UQD0, and Q9Y5Y9
DOI: 10.7270/q2mk6fms
title: BindingDB Entry 50045930: Cannabinoid type 1 receptor antagonists modulate transport activity of multidrug resistance-associated proteins MRP1, MRP2, MRP3, and MRP4.

description: Small molecule binding data for protein Cannabinoid receptor 1, Multidrug resistance-associated protein 1, and Multidrug resistance-associated protein 4, Uniprot O15439, P21554, and P33527
DOI: 10.7270/q2n018bp
title: BindingDB Entry 50046452: Carbamoyl Triazoles, Known Serine Protease Inhibitors, Are a Potent New Class of Antimalarials.

description: Small molecule binding data for protein Acetylcholinesterase, Dipeptidyl peptidase 4 (DPP4), and Hormone sensitive lipase, Uniprot P22303, P27487, and Q05469
DOI: 10.7270/q2nc6318
title: BindingDB Entry 50046955: Synthesis of 2-arylfuro[3,2-b]pyridines: Effect of the C2-aryl group on melatoninergic activity.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2ns0wtz
title: BindingDB Entry 50047472: Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain Aß Reduction in Rodents.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Beta-secretase 1, 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, P33261, P40989, and P56817
DOI: 10.7270/q2rb76bh
title: BindingDB Entry 50045929: Pharmacokinetics and hepatic uptake of eltrombopag, a novel platelet-increasing agent.

description: Small molecule binding data for protein Adrenergic Alpha, Solute carrier organic anion transporter family member 1B1 (OATP1B1), Solute carrier organic anion transporter family member 1B3 (OATP1B3), and Solute carrier organic anion transporter family member 2B1, Uniprot O15245, O94956, Q9NPD5, and Q9Y6L6
DOI: 10.7270/q2rr2123
title: BindingDB Entry 50046451: Biarylsulfonamide CCR9 inhibitors for inflammatory bowel disease.

description: Small molecule binding data for protein C-C chemokine receptor type 9, Uniprot P51686
DOI: 10.7270/q2s46tt3
title: BindingDB Entry 50046954: Discovery of aminoquinazoline derivatives as human A(2A) 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, P29274, P29275, P30542, and P30543
DOI: 10.7270/q2vq34nx
title: BindingDB Entry 50047989: Drug discovery strategies to outer membrane targets in Gram-negative pathogens.

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase (LpxC), Uniprot P47205
DOI: 10.7270/q2wh2rtg
title: BindingDB Entry 50046450: Inhibitory Effects of Highly Oxygenated Lanostane Derivatives from the Fungus Ganoderma lucidum on P-Glycoprotein anda-Glucosidase.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q208674b
title: BindingDB Entry 50046457: Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q20p11wz
title: BindingDB Entry 50046960: Illuminating the binding interactions of galactonoamidines during the inhibition ofß-galactosidase (E. coli).

description: Small molecule binding data for protein Beta-galactosidase, Uniprot Q8VNN2
DOI: 10.7270/q2377bpq
title: BindingDB Entry 50047995: Discovery and Development of Kelch-like ECH-Associated Protein 1. Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction Inhibitors: Achievements, Challenges, and Future Directions.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uniprot Q14145 and Q16236
DOI: 10.7270/q2416zv8
title: BindingDB Entry 50046456: Discovery of non-competitive thrombin inhibitor derived from competitive tryptase inhibitor skeleton: Shift in molecular recognition resulted from skeletal conversion of carboxylate into phosphonate.

description: Small molecule binding data for protein Prothrombin, Trypsin, and Tryptase, Uniprot P00734, P07477, P07478, P35030, Q15661,P20231, Q9BZJ3, and Q9NRR2
DOI: 10.7270/q27083df
title: BindingDB Entry 50047994: Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 4, Bromodomain-containing protein 8, Bromodomain-containing protein 9, CREB-binding protein/p53, Cat eye syndrome critical region protein 2, Histone acetyltransferase KAT2A/KAT2B, Histone acetyltransferase PCAF, Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha, Nucleosome-remodeling factor subunit BPTF, Peregrin, and Transcription initiation factor TFIID subunit 1, Uniprot O60885, P21675, P55201, Q09472, Q12830, Q92793, Q92830, Q92831, Q9BXF3, Q9H0E9, Q9H8M2, and Q9UIF8
DOI: 10.7270/q27s7qj7
title: BindingDB Entry 50046455: Discovery of a 6-(pyridin-3-yl)benzo[d]thiazole template for optimization of hedgehog and PI3K/AKT/mTOR dual inhibitors.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo), PI3-kinase subunit alpha, and Smoothened homolog, Uniprot P42336, P56726, and Q99835
DOI: 10.7270/q2br8v4g
title: BindingDB Entry 50047993: Free fatty acid receptor 1 (GPR40) agonists containing spirocyclic periphery inspired by LY2881835.

description: Small molecule binding data for protein Free fatty acid receptor 1, Free fatty acid receptor 2, Free fatty acid receptor 3, and Free fatty acid receptor 4, Uniprot O14842, O14843, O15552, and Q5NUL3
DOI: 10.7270/q2bz67w6
title: BindingDB Entry 50046965: Role of the phenolic OH moiety of GluN2B-selective NMDA antagonists with 3-benzazepine scaffold.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2c82c77
title: BindingDB Entry 50047482: Synthesis and Biological Evaluation of Novels1 Receptor Ligands for Treating Neuropathic Pain: 6-Hydroxypyridazinones.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Sigma-1 receptor, Uniprot P40989 and Q60492
DOI: 10.7270/q2cf9rx4
title: BindingDB Entry 50046454: Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed asa4ß2-Nicotinic Acetylcholine Receptor Agonists.

description: Small molecule binding data for protein Neuronal acetylcholine receptor and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787, P43681, and Q05941
DOI: 10.7270/q2ft8ns4
title: BindingDB Entry 50045939: Pharmacokinetics, metabolism, and excretion of the glycogen synthase kinase-3 inhibitor LY2090314 in rats, dogs, and humans: a case study in rapid clearance by extensive metabolism with low circulating metabolite exposure.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2gm8955
title: BindingDB Entry 50046964: Amides of non-steroidal anti-inflammatory drugs with thiomorpholine can yield hypolipidemic agents with improved anti-inflammatory activity.

description: Small molecule binding data for protein Seed linoleate 9S-lipoxygenase, Uniprot P24095
DOI: 10.7270/q2h133x3
title: BindingDB Entry 50047481: Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold.

description: Small molecule binding data for protein Glucose regulated protein 94kDa (Grp94) and Heat shock protein HSP90, Uniprot P07900 and P14625
DOI: 10.7270/q2h70hmz
title: BindingDB Entry 50046453: Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor 5, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, P41594, and Q12809
DOI: 10.7270/q2kk9dhv
title: BindingDB Entry 50045938: Clinical pharmacokinetics, metabolism, and drug-drug interaction of carfilzomib.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10632, P10635, P11712, and P33261
DOI: 10.7270/q2m61n66
title: BindingDB Entry 50047991: Identification of SENP1 inhibitors through in silico screening and rational drug design.

description: Small molecule binding data for protein Sentrin-specific protease 1 (SENP1), Uniprot Q9P0U3
DOI: 10.7270/q2mc91v1
title: BindingDB Entry 50046963: 2-Amino-4-bis(aryloxybenzyl)aminobutanoic acids: A novel scaffold for inhibition of ASCT2-mediated glutamine transport.

description: Small molecule binding data for protein Amino acid transporter and Neutral amino acid transporter B(0), Uniprot Q15758
DOI: 10.7270/q2ms3vn4
title: BindingDB Entry 50047480: Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 121, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, P11712, P33261, and P9WPP7
DOI: 10.7270/q2pz5bst
title: BindingDB Entry 50047998: Phenylindenone isomers as divergent modulators of p38a MAP kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2qc0574
title: BindingDB Entry 50045937: Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods.

description: Small molecule binding data for protein POU domain, class 2, transcription factor 1, POU domain, class 2, transcription factor 2, Solute carrier family 22 member 8, and Solute carrier organic anion transporter family member 1B1 (OATP1B1), Uniprot P09086, P14859, Q8TCC7, and Q9Y6L6
DOI: 10.7270/q2qz2cx6
title: BindingDB Entry 50047990: Design, synthesis and evaluation of 4-dimethylamine flavonoid derivatives as potential multifunctional anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2r49smt
title: BindingDB Entry 50046962: Enantiomeric 3-deaza-1',6'-isoneplanocin and its 3-bromo analogue: Synthesis by the Ullmann reaction and their antiviral properties.

description: Small molecule binding data for protein Adenosylhomocysteinase 2, Uniprot O43865
DOI: 10.7270/q2rj4mcv
title: BindingDB Entry 50047479: Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10632, P10635, and P11712
DOI: 10.7270/q2tq63g3
title: BindingDB Entry 50047997: Design, Synthesis, and Pharmacological Evaluation of 2-(2,5-Dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)-N-aryl Propanamides as Novel Smoothened (Smo) Antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Smoothened homolog, Uniprot P40989 and P56726
DOI: 10.7270/q2v40wxm
title: BindingDB Entry 50045936: Mechanistic studies on the absorption and disposition of scutellarin in humans: selective OATP2B1-mediated hepatic uptake is a likely key determinant for its unique pharmacokinetic characteristics.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Multidrug resistance-associated protein 2 (MRP2), Solute carrier organic anion transporter family member 2B1, UDP-glucuronosyltransferase 1-10, and Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot O94956, P22309, Q92887, Q9HAW8, and Q9UNQ0
DOI: 10.7270/q2vh5qnn
title: BindingDB Entry 50046458: Structure activity relationship of pyridoxazinone substituted RHS analogs of oxabicyclooctane-linked 1,5-naphthyridinyl novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-6).

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2vx0jc7
title: BindingDB Entry 50046961: The influence of 5-HT(2A) activity on a 5-HT(2C) specific in vivo assay used for early identification of multiple acting SERT and 5-HT(2C) receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), and Sodium-dependent serotonin transporter, Uniprot P08909, P14842, P28223, P28335, P31645, and P31652
DOI: 10.7270/q2w95c3k
title: BindingDB Entry 50047478: Optimization of Novel Aza-benzimidazolone mGluR2 PAMs with Respect to LLE and PK Properties and Mitigation of CYP TDI.

description: Small molecule binding data for protein Cytochrome P450 3A, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O15303, P08684, P41594, Q14416, Q14832, and Q14833
DOI: 10.7270/q2zw1nn1
title: BindingDB Entry 50045935: The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 1B1 (OATP1B1), Uniprot Q9Y6L6