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SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)cc2n1C)NC(C)=O

InChI Key: InChIKey=OOETXWKCCZSBMN-ZVZYQTTQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369681   
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


(Homo sapiens (Human))		BDBM369681
PNG
(US10233156, Example I-221)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)|
Show InChI InChI=1S/C22H31N3O4/c1-14(23-15(2)26)13-27-16-4-6-18(7-5-16)29-22-24-20-11-10-19(28-17-8-9-17)12-21(20)25(22)3/h10-12,14,16-18H,4-9,13H2,1-3H3,(H,23,26)/t14-,16-,18-/m0/s1
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PC cid
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US Patent
n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...

J Med Chem 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2C53P4Z
More data for this
Ligand-Target Pair