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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50314925'   
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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50314925
PNG
(5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spir...)
Show SMILES COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
Show InChI InChI=1S/C23H23N3O4/c1-14-10-15(11-16-13-24-25-21(14)16)22(28)26-8-6-23(7-9-26)12-17(27)20-18(29-2)4-3-5-19(20)30-23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,24,25)
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Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader


Bioorg Med Chem Lett 20: 2383-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.04.091
BindingDB Entry DOI: 10.7270/Q22N52DW
More data for this
Ligand-Target Pair