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BDBM50013215 CHEMBL2375156::Sodium salt of7-[4-(4-Fluoro-phenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-hept-6-enoic acid

SMILES: [Na+].Cc1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=VFFDESJHNSVRML-DFVOXZGXSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50013215   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50013215
PNG
(CHEMBL2375156 | Sodium salt of7-[4-(4-Fluoro-pheny...)
Show SMILES [Na+].Cc1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO4.Na/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19;/h2-12,15,20-21,27-28H,13-14H2,1H3,(H,29,30);/q;+1/p-1/b12-11+;/t20-,21+;/m0./s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.830n/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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50013215
PNG
(CHEMBL2375156 | Sodium salt of7-[4-(4-Fluoro-pheny...)
Show SMILES [Na+].Cc1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO4.Na/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19;/h2-12,15,20-21,27-28H,13-14H2,1H3,(H,29,30);/q;+1/p-1/b12-11+;/t20-,21+;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/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