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BDBM50231019 CHEMBL402622::sodium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-4-(4-methylpiperazin-1-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

SMILES: CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=NQPKWFHCRRXCBX-CLJLJLNGSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231019   
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))
BDBM50231019
PNG
(CHEMBL402622 | sodium (3R,5R)-7-(2-(4-fluorophenyl...)
Show SMILES CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C31H40FN3O6S/c1-21(2)29-31(42(40,41)34-17-15-33(3)16-18-34)28(22-7-5-4-6-8-22)30(23-9-11-24(32)12-10-23)35(29)14-13-25(36)19-26(37)20-27(38)39/h4-12,21,25-26,36-37H,13-20H2,1-3H3,(H,38,39)/p-1/t25-,26-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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