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BDBM50013222 CHEMBL159103::Sodium salt of7-[4-(4-Fluoro-phenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-hept-6-enoic acid

SMILES: Cc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=WNFLCKCKUBDEAY-ITWZMISCSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013222   
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))
BDBM50013222
PNG
(CHEMBL159103 | Sodium salt of7-[4-(4-Fluoro-phenyl...)
Show SMILES Cc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-13,21-22,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t21-,22-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 250n/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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50013222
PNG
(CHEMBL159103 | Sodium salt of7-[4-(4-Fluoro-phenyl...)
Show SMILES Cc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-13,21-22,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t21-,22-/m1/s1
PDB

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
Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)


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