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BDBM50006413 CHEMBL65037::Sodium; 7-[5-(4-fluoro-phenyl)-3-isopropyl-1-pyridin-2-yl-1H-pyrazol-4-yl]-3,5-dihydroxy-heptanoate

SMILES: CC(C)c1nn(c(c1CCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1

InChI Key: InChIKey=ZRSDASSNOLAFQV-MUMRKEEXSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006413   
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))
BDBM50006413
PNG
(CHEMBL65037 | Sodium; 7-[5-(4-fluoro-phenyl)-3-iso...)
Show SMILES CC(C)c1nn(c(c1CCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1
Show InChI InChI=1S/C24H28FN3O4/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21/h3-9,12,15,18-19,29-30H,10-11,13-14H2,1-2H3,(H,31,32)/p-1/t18?,19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.


J Med Chem 35: 2095-103 (1992)


BindingDB Entry DOI: 10.7270/Q2HH6KN8
More data for this
Ligand-Target Pair