BindingDB PrimarySearch

BDBM50011032 5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide::Atorvastatin lactone::CHEMBL333687::US9006282, Example 3, Compound 2

SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1

InChI Key: InChIKey=OUCSEDFVYPBLLF-KAYWLYCHSA-N

Data: 2 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50011032
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bile Salt Export Pump, BSEP (Rattus norvegicus)	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	KEGG GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573
University of Tokyo Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573
University of Tokyo Curated by PDSP K_i Database					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase activity in partially purified rat liver				J Med Chem 34: 357-66 (1991) BindingDB Entry DOI: 10.7270/Q2NV9H6F
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cells				Drug Metab Dispos 33: 537-46 (2005) Article DOI: 10.1124/dmd.104.002477 BindingDB Entry DOI: 10.7270/Q2SB4712
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cells				Drug Metab Dispos 33: 537-46 (2005) Article DOI: 10.1124/dmd.104.002477 BindingDB Entry DOI: 10.7270/Q2SB4712
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase activity in partially purified rat liver				J Med Chem 34: 357-66 (1991) BindingDB Entry DOI: 10.7270/Q2NV9H6F
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase activity in partially purified rat liver				J Med Chem 34: 357-66 (1991) BindingDB Entry DOI: 10.7270/Q2NV9H6F
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.2	n/a
Redx Pharma Limited US Patent					Assay Description All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...				US Patent US9006282 (2015) BindingDB Entry DOI: 10.7270/Q28K77T8
Redx Pharma Limited US Patent					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50011032 (5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...) Show SMILES Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cells				Drug Metab Dispos 33: 537-46 (2005) Article DOI: 10.1124/dmd.104.002477 BindingDB Entry DOI: 10.7270/Q2SB4712
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair