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BDBM50350731 CHEMBL1818186

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1

InChI Key: InChIKey=LQRNCHNHHXKEOH-MEMLXQNLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350731   
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))		BDBM50350731
PNG
(CHEMBL1818186)
Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(22.76,4.28,;24.1,5.06,;24.09,6.6,;22.76,5.83,;25.43,4.29,;26.77,5.07,;26.76,6.61,;28.1,4.3,;28.11,2.76,;29.44,1.99,;30.77,2.77,;32.1,1.99,;32.1,.45,;33.44,-.32,;33.44,-1.86,;34.77,-2.63,;35.16,-1.14,;36.25,-3.02,;34.77,-4.18,;36.1,-4.94,;36.1,-6.48,;34.76,-7.25,;33.43,-6.48,;32.1,-7.24,;30.78,-6.47,;30.78,-4.93,;32.11,-4.17,;33.44,-4.94,;37.43,-7.24,;37.43,-8.78,;38.77,-9.55,;40.1,-8.78,;40.09,-7.23,;38.76,-6.47,;30.77,-.31,;29.44,.45,)|
Show InChI InChI=1S/C28H35N3O4S/c1-28(2,3)35-27(32)29-18-20-13-15-21(16-14-20)19-30-36(33,34)26-17-25(22-9-5-4-6-10-22)31-24-12-8-7-11-23(24)26/h4-12,17,20-21,30H,13-16,18-19H2,1-3H3,(H,29,32)/t20-,21-
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n/an/a 690n/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