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BDBM50231039 CHEMBL252657::sodium; (3R,5R)-7-[2,3-bis-(4-fluoro-phenyl)-5-isopropyl-4-phenylsulfamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate

SMILES: CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccccc1

InChI Key: InChIKey=GGTAZNWAYMFTSE-KAYWLYCHSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231039   
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))
BDBM50231039
PNG
(CHEMBL252657 | sodium; (3R,5R)-7-[2,3-bis-(4-fluor...)
Show SMILES CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C32H34F2N2O6S/c1-20(2)30-32(43(41,42)35-25-6-4-3-5-7-25)29(21-8-12-23(33)13-9-21)31(22-10-14-24(34)15-11-22)36(30)17-16-26(37)18-27(38)19-28(39)40/h3-15,20,26-27,35,37-38H,16-19H2,1-2H3,(H,39,40)/p-1/t26-,27-/m1/s1
PDB
MMDB

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PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal HMGCoA reductase


Bioorg Med Chem Lett 18: 1151-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.124
BindingDB Entry DOI: 10.7270/Q2TQ6191
More data for this
Ligand-Target Pair