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BDBM50042634 (E)-(3R,5S)-7-[2-Dimethylamino-4,5-bis-(4-fluoro-phenyl)-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion::CHEMBL123127::Sodium; 7-[2-dimethylamino-4,5-bis-(4-fluoro-phenyl)-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoate

SMILES: CN(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1

InChI Key: InChIKey=GVZUOJWJKSNJNR-XICOBVEKSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042634   
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))
BDBM50042634
PNG
((E)-(3R,5S)-7-[2-Dimethylamino-4,5-bis-(4-fluoro-p...)
Show SMILES CN(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2N3O4/c1-28(2)24-27-22(15-3-7-17(25)8-4-15)23(16-5-9-18(26)10-6-16)29(24)12-11-19(30)13-20(31)14-21(32)33/h3-12,19-20,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t19-,20-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.04n/an/an/an/an/an/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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50042634
PNG
((E)-(3R,5S)-7-[2-Dimethylamino-4,5-bis-(4-fluoro-p...)
Show SMILES CN(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25F2N3O4/c1-28(2)24-27-22(15-3-7-17(25)8-4-15)23(16-5-9-18(26)10-6-16)29(24)12-11-19(30)13-20(31)14-21(32)33/h3-12,19-20,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t19-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)


J Med Chem 36: 3646-57 (1994)


BindingDB Entry DOI: 10.7270/Q2X929CH
More data for this
Ligand-Target Pair