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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 = 'BDBM50014347'   
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))
BDBM50014347
PNG
(CHEMBL321715 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...)
Show SMILES [#6]-[#6](-[#6])-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O4/c1-15(2)31-29-25(28-30-31)22(12-11-20(32)13-21(33)14-23(34)35)24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-12,15,20-21,32-33H,13-14H2,1-2H3,(H,34,35)/p-1/b12-11+/t20-,21-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was measured against rat liver HMG-CoA reductase


J Med Chem 33: 2982-99 (1990)


BindingDB Entry DOI: 10.7270/Q26T0N7R
More data for this
Ligand-Target Pair