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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50338903'   
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
Squalene synthase


(Homo sapiens (Human))
BDBM50338903
PNG
(CHEMBL1684849 | Ethyl 1-{4-[{4-chloro-2-[(2-fluoro...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F
Show InChI InChI=1S/C30H38ClFN2O5/c1-5-39-29(38)20-14-16-33(17-15-20)26(35)12-13-27(36)34(19-30(2,3)4)25-11-10-21(31)18-23(25)28(37)22-8-6-7-9-24(22)32/h6-11,18,20,28,37H,5,12-17,19H2,1-4H3
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Similars

Article
PubMed
n/an/a 0.450n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Bioorg Med Chem 19: 1930-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.065
BindingDB Entry DOI: 10.7270/Q2ZG6SJ3
More data for this
Ligand-Target Pair