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SMILES: C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2F)cc1

InChI Key: InChIKey=SVHUYVUAEBCZEO-AWEZNQCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 101975   
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))		BDBM101975
PNG
(US8530460, 1.55)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CN(C2)c2ccc(OC3CC3)cc2F)cc1 |r|
Show InChI InChI=1S/C22H25FN2O3/c1-14(24-15(2)26)16-3-5-17(6-4-16)28-20-12-25(13-20)22-10-9-19(11-21(22)23)27-18-7-8-18/h3-6,9-11,14,18,20H,7-8,12-13H2,1-2H3,(H,24,26)/t14-/m0/s1
PDB

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PC cid
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Similars
US Patent
n/an/a 110n/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