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

InChI Key: InChIKey=ZWCPMSVBVDHDIJ-XJKSGUPXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139013   
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))		BDBM139013
PNG
(US8877741, 12)
Show SMILES C[C@H](NC=O)c1ccc(O[C@@H]2CCN(C2)c2cccc(n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H20F3N3O2/c1-13(23-12-26)14-5-7-15(8-6-14)27-16-9-10-25(11-16)18-4-2-3-17(24-18)19(20,21)22/h2-8,12-13,16H,9-11H2,1H3,(H,23,26)/t13-,16+/m0/s1
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MMDB

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Similars
US Patent
n/an/a 888n/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