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SMILES: CCOc1ccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(OC)n1

InChI Key: InChIKey=QTGXWUJAZGEYDV-HNAYVOBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 138650   
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))		BDBM138650
PNG
(US8877741, 1.128)
Show SMILES CCOc1ccc(N2CC[C@H](C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(OC)n1 |r|
Show InChI InChI=1S/C22H29N3O4/c1-5-28-21-11-10-20(22(24-21)27-4)25-13-12-19(14-25)29-18-8-6-17(7-9-18)15(2)23-16(3)26/h6-11,15,19H,5,12-14H2,1-4H3,(H,23,26)/t15-,19+/m0/s1
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Similars
US Patent
n/an/a 360n/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