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BDBM50042628 (E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-trifluoromethyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion::CHEMBL333307::Sodium; 7-[4,5-bis-(4-fluoro-phenyl)-2-trifluoromethyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoate

SMILES: O[C@H](C[C@H](O)\C=C\n1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)CC([O-])=O

InChI Key: InChIKey=WQXDCZIGRVCRLY-AQRBRUGDSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042628   
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


(Homo sapiens (Human))
BDBM50042628
PNG
((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-trifluo...)
Show SMILES O[C@H](C[C@H](O)\C=C\n1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)CC([O-])=O
Show InChI InChI=1S/C23H19F5N2O4/c24-15-5-1-13(2-6-15)20-21(14-3-7-16(25)8-4-14)30(22(29-20)23(26,27)28)10-9-17(31)11-18(32)12-19(33)34/h1-10,17-18,31-32H,11-12H2,(H,33,34)/p-1/b10-9+/t17-,18-/m1/s1
PDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.89n/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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50042628
PNG
((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-trifluo...)
Show SMILES O[C@H](C[C@H](O)\C=C\n1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)CC([O-])=O
Show InChI InChI=1S/C23H19F5N2O4/c24-15-5-1-13(2-6-15)20-21(14-3-7-16(25)8-4-14)30(22(29-20)23(26,27)28)10-9-17(31)11-18(32)12-19(33)34/h1-10,17-18,31-32H,11-12H2,(H,33,34)/p-1/b10-9+/t17-,18-/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 13n/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