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SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N2CCC(C)(C)C2)cc1

InChI Key: InChIKey=LSNPMGDZOMLTCQ-PGRDOPGGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139001   
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


(Homo sapiens (Human))		BDBM139001
PNG
(US8877741, 10.48)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)N2CCC(C)(C)C2)cc1 |r|
Show InChI InChI=1S/C25H34N4O2/c1-18(26-19(2)30)20-8-10-21(11-9-20)31-22-12-14-28(16-22)23-6-5-7-24(27-23)29-15-13-25(3,4)17-29/h5-11,18,22H,12-17H2,1-4H3,(H,26,30)/t18-,22+/m0/s1
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Similars
US Patent
n/an/a 256n/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