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BDBM18381 Pyridyl substituted pyrrole compound, 14::sodium (3R,5R)-7-[3-(4-fluorophenyl)-5-(phenylcarbamoyl)-1-(propan-2-yl)-4-(pyridin-2-yl)-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoate

SMILES: CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccn1)-c1ccc(F)cc1

InChI Key: InChIKey=MTWLPOUAURCCNI-JWQCQUIFSA-M

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18381   
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))
BDBM18381
PNG
(Pyridyl substituted pyrrole compound, 14 | sodium ...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccn1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H34FN3O5/c1-20(2)36-27(16-15-24(37)18-25(38)19-28(39)40)29(21-11-13-22(33)14-12-21)30(26-10-6-7-17-34-26)31(36)32(41)35-23-8-4-3-5-9-23/h3-14,17,20,24-25,37-38H,15-16,18-19H2,1-2H3,(H,35,41)(H,39,40)/p-1/t24-,25-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.40n/an/an/an/a7.237



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair