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SMILES: C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=YCLCQGOATAFIRH-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101934   
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
Isoform 3 of Acetyl-CoA carboxylase 2 (ACC2.v2)


(Homo sapiens (Human))		BDBM101934
PNG
(US8530460, 1.14)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C23H28N2O3/c1-16(24-17(2)26)19-5-9-22(10-6-19)28-23-13-25(14-23)20-7-11-21(12-8-20)27-15-18-3-4-18/h5-12,16,18,23H,3-4,13-15H2,1-2H3,(H,24,26)/t16-/m0/s1
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Similars
US Patent
n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Enzyme assay using human acetyl-CoA carboxylase 2 (ACC).

US Patent US8530460 (2013)


BindingDB Entry DOI: 10.7270/Q2X34W3N
More data for this
Ligand-Target Pair