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SMILES: CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)CC(F)(F)F

InChI Key: InChIKey=UKMDDOPFKSUKFW-DJZRFWRSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138685   
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))		BDBM138685
PNG
(US8877741, 2.11)
Show SMILES CC(C)Oc1cc(ccn1)N1CCC(C1)Oc1ccc(cc1)[C@H](C)NC(=O)CC(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O3/c1-15(2)31-22-12-18(8-10-27-22)29-11-9-20(14-29)32-19-6-4-17(5-7-19)16(3)28-21(30)13-23(24,25)26/h4-8,10,12,15-16,20H,9,11,13-14H2,1-3H3,(H,28,30)/t16-,20?/m0/s1
PDB
MMDB

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Similars
US Patent
n/an/a 1.00E+3n/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