BindingDB PrimarySearch

BDBM18376 (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid::Cerivastatin::cid_446156

SMILES: COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C

InChI Key: InChIKey=SEERZIQQUAZTOL-ANMDKAQQSA-N

Data: 2 KI 4 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 18376
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) (Homo sapiens (Human))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB 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 (Rattus norvegicus)	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB 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))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	9.80	n/a	2.30	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase				Bioorg Med Chem Lett 15: 1027-32 (2005) Article DOI: 10.1016/j.bmcl.2004.12.042 BindingDB Entry DOI: 10.7270/Q2TB17N9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Institute Curated by PubChem BioAssay									PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF
Southern Research Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.2	37
Pfizer					Assay Description Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...				Bioorg Med Chem 15: 5576-89 (2007) Article DOI: 10.1016/j.bmc.2007.05.031 BindingDB Entry DOI: 10.7270/Q23J3B7G
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.80	n/a	1.70	n/a	n/a	7.2	37
Pfizer					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 31-45 (2008) Article DOI: 10.1021/jm070849r BindingDB Entry DOI: 10.7270/Q2VD6WRD
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)