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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon 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...) | 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 Ki Database | J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573 | ||||||||||||
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...) | 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 Ki Database | J Pharmacol Exp Ther 314: 876-82 (2005) Article DOI: 10.1124/jpet.105.084830 BindingDB Entry DOI: 10.7270/Q23X8573 | ||||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
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...) | 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 | |||||||||||
More data for this Ligand-Target Pair |