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BDBM50406577 CHEMBL421373

SMILES: CC(C)c1nc(cc(c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccc(F)cc1C)-c1ccccc1

InChI Key: InChIKey=LFLSFCNABLJAEH-UHFFFAOYSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406577   
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))
BDBM50406577
PNG
(CHEMBL421373)
Show SMILES CC(C)c1nc(cc(c1CCP(O)([O-])CC(=O)CC([O-])=O)-c1ccc(F)cc1C)-c1ccccc1
Show InChI InChI=1S/C27H30FNO5P/c1-17(2)27-23(11-12-35(33,34)16-21(30)14-26(31)32)24(22-10-9-20(28)13-18(22)3)15-25(29-27)19-7-5-4-6-8-19/h4-10,13,15,17,33,35H,11-12,14,16H2,1-3H3,(H,31,32)/q-1/p-1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro for inhibition of rat HMG-CoA reductase.


J Med Chem 34: 2804-15 (1991)


Article DOI: 10.1021/jm00113a019
BindingDB Entry DOI: 10.7270/Q2H1336P
More data for this
Ligand-Target Pair