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BDBM50406612 CHEMBL94800

SMILES: Cc1c(nc(C2CC2)c(COP([O-])(=O)C[C@H](O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1

InChI Key: InChIKey=OFGMIUAUIDYZAY-OAQYLSRUSA-L

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406612   
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))
BDBM50406612
PNG
(CHEMBL94800)
Show SMILES Cc1c(nc(C2CC2)c(COP([O-])(=O)C[C@H](O)CC([O-])=O)c1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C26H27FNO6P/c1-16-24(17-9-11-20(27)12-10-17)22(14-34-35(32,33)15-21(29)13-23(30)31)26(19-7-8-19)28-25(16)18-5-3-2-4-6-18/h2-6,9-12,19,21,29H,7-8,13-15H2,1H3,(H,30,31)(H,32,33)/p-2/t21-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase.


J Med Chem 34: 2804-15 (1991)


BindingDB Entry DOI: 10.7270/Q2H1336P
More data for this
Ligand-Target Pair