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BDBM97601 US8470841, 17

SMILES: CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1

InChI Key: InChIKey=SWCJEMIHSBXCCO-XUTJKUGGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 97601   
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))		BDBM97601
PNG
(US8470841, 17)
Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:7.6,wD:10.13,(9.36,-9.03,;9.76,-7.54,;11.25,-7.14,;8.67,-6.45,;7.18,-6.85,;6.1,-5.76,;4.61,-6.16,;3.52,-5.07,;2.03,-5.47,;.94,-4.38,;1.34,-2.9,;2.83,-2.5,;3.92,-3.59,;.25,-1.81,;-1.23,-2.21,;-1.63,-3.69,;-3.12,-4.09,;-4.21,-3,;-5.7,-3.4,;-6.79,-2.31,;-8.27,-2.71,;-9.36,-1.62,;-10.85,-2.02,;-11.25,-3.51,;-10.16,-4.6,;-8.67,-4.2,;-3.81,-1.51,;-2.32,-1.12,)|
Show InChI InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-
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Similars
US Patent
n/an/a 50n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.

US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair