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BDBM138744 US8877741, 2.70

SMILES: C[C@H](NC(=O)c1ccon1)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1

InChI Key: InChIKey=RODREPZZLKXEKZ-YNFAVTQCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138744   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM138744
PNG
(US8877741, 2.70)
Show SMILES C[C@H](NC(=O)c1ccon1)c1ccc(OC2CCN(C2)c2ccnc(OCC3CC3)c2)cc1
Show InChI InChI=1/C25H28N4O4/c1-17(27-25(30)23-10-13-32-28-23)19-4-6-21(7-5-19)33-22-9-12-29(15-22)20-8-11-26-24(14-20)31-16-18-2-3-18/h4-8,10-11,13-14,17-18,22H,2-3,9,12,15-16H2,1H3,(H,27,30)/t17-,22?/s2
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MMDB

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Similars

US Patent
n/an/a 99n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair