BindingDB logo
myBDB logout

BDBM50013214 (racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-isopropyl-5-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-heptanoic acid::CHEMBL436037::Sodium salt of7-[4-(4-Fluoro-phenyl)-2-isopropyl-5-methyl-1-phenyl-1H-pyrrol-3-yl]-3R,5R-dihydroxy-heptanoic acid

SMILES: CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=JHURQXGATCGLIV-DHIUTWEWSA-M

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013214   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50013214
PNG
((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-is...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase of rat liver


J Med Chem 33: 61-70 (1990)


Article DOI: 10.1021/jm00163a011
BindingDB Entry DOI: 10.7270/Q22V2F4S
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50013214
PNG
((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-is...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase of rat liver


J Med Chem 33: 61-70 (1990)


Article DOI: 10.1021/jm00163a011
BindingDB Entry DOI: 10.7270/Q22V2F4S
More data for this
Ligand-Target Pair