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BDBM50350729 CHEMBL1818184

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1

InChI Key: InChIKey=NCTLNAWWXKBSSW-IYARVYRRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350729   
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 (ACC2)


(Homo sapiens (Human))		BDBM50350729
PNG
(CHEMBL1818184)
Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |r,wU:9.8,wD:12.12,(-9.62,3.59,;-8.29,4.37,;-8.3,5.91,;-9.63,5.14,;-6.96,3.6,;-5.63,4.37,;-5.63,5.91,;-4.29,3.61,;-4.29,2.07,;-2.95,1.3,;-1.62,2.08,;-.29,1.3,;-.29,-.24,;1.04,-1.01,;1.04,-2.55,;2.37,-3.32,;2.76,-1.83,;3.85,-3.71,;2.37,-4.86,;1.03,-5.63,;1.03,-7.16,;2.36,-7.94,;2.37,-9.48,;3.71,-10.25,;5.05,-9.47,;5.04,-7.92,;3.7,-7.16,;3.7,-5.62,;-1.62,-1,;-2.95,-.24,)|
Show InChI InChI=1S/C23H32N2O4S/c1-23(2,3)29-22(26)24-15-17-8-10-18(11-9-17)16-25-30(27,28)21-13-12-19-6-4-5-7-20(19)14-21/h4-7,12-14,17-18,25H,8-11,15-16H2,1-3H3,(H,24,26)/t17-,18-
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...

Bioorg Med Chem 19: 3039-53 (2011)


Article DOI: 10.1016/j.bmc.2011.04.014
BindingDB Entry DOI: 10.7270/Q2G44QN2
More data for this
Ligand-Target Pair