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SMILES: COc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=AEYTZQNRVNCKDQ-DHIUTWEWSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20702   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM20702
PNG
(Tertiary Amide Analog, 44 | sodium (3R,5R)-7-[1-(4...)
Show SMILES COc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C29H36FN3O6/c1-18(2)27-25(14-11-22(34)15-23(35)16-26(36)37)33(21-9-7-20(30)8-10-21)31-28(27)29(38)32(3)17-19-5-12-24(39-4)13-6-19/h5-10,12-13,18,22-23,34-35H,11,14-17H2,1-4H3,(H,36,37)/p-1/t22-,23-/m1/s1
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MMDB

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Similars
Article
PubMed
n/an/a 12n/a 0.300n/an/a7.237



Pfizer



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

J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair