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SMILES: C[C@H](NC(=O)C(C)(C)C)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1

InChI Key: InChIKey=NAJXZPHMRRQYIU-BUSXIPJBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138835   
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))		BDBM138835
PNG
(US8877741, 5.1 | US8877741, 685)
Show SMILES C[C@H](NC(=O)C(C)(C)C)c1ccc(OC2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C23H28F3N3O2/c1-15(27-21(30)22(2,3)4)16-8-10-17(11-9-16)31-18-12-13-29(14-18)20-7-5-6-19(28-20)23(24,25)26/h5-11,15,18H,12-14H2,1-4H3,(H,27,30)/t15-,18?/m0/s1
PDB
MMDB

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Similars
US Patent
n/an/a 649n/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