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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50011210'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50011210
PNG
(CHEMBL342422 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...)
Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/p-1/b11-10+/t18?,19-/m1/s1
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MMDB

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Similars

Article
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against rat liver microsomal HMG-CoA reductase


Bioorg Med Chem Lett 2: 99-104 (1992)


Article DOI: 10.1016/S0960-894X(00)80665-4
BindingDB Entry DOI: 10.7270/Q2X92B57
More data for this
Ligand-Target Pair