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SMILES: CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2F)cc1

InChI Key: InChIKey=SIMIDBXVWTYZCU-XPKAQORNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 212614   
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 [129-967]


(Homo sapiens (Human))		BDBM212614
PNG
(US9278954, 1.5)
Show SMILES CC(C(=O)NC1CC1)c1ccc(O[C@@H]2CCN(C2)c2ncnc(OCC(C)(F)F)c2F)cc1 |r|
Show InChI InChI=1S/C23H27F3N4O3/c1-14(21(31)29-16-5-6-16)15-3-7-17(8-4-15)33-18-9-10-30(11-18)20-19(24)22(28-13-27-20)32-12-23(2,25)26/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3,(H,29,31)/t14?,18-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 133n/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 US9278954 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73FM
More data for this
Ligand-Target Pair