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BDBM369676 US10233156, Example I-216

SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC4(COC4)C3)c(F)c2n1C)NC(C)=O

InChI Key: InChIKey=KAPKCLCZAHCNNK-XIRDDKMYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369676   
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))		BDBM369676
PNG
(US10233156, Example I-216)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC4(COC4)C3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.48,-1.43,;7.48,.11,;6.15,.88,;4.82,.11,;3.48,.88,;3.48,2.42,;2.15,3.19,;.82,2.42,;.82,.88,;2.15,.11,;-.52,3.19,;-1.85,2.42,;-2.01,.89,;-3.52,.57,;-4.29,-.76,;-3.52,-2.1,;-5.83,-.76,;-6.6,.57,;-8.14,.57,;-8.91,-.76,;-10.4,-1.16,;-10,-2.65,;-11.49,-3.05,;-11.09,-4.54,;-9.6,-4.14,;-8.51,-2.25,;-5.83,1.9,;-6.6,3.24,;-4.29,1.9,;-3.26,3.05,;-3.66,4.54,;8.82,.88,;10.15,.11,;11.49,.88,;10.15,-1.43,)|
Show InChI InChI=1S/C25H33F2N3O5/c1-14(28-15(2)31)11-33-16-4-6-17(7-5-16)35-24-29-22-19(26)8-20(21(27)23(22)30(24)3)34-18-9-25(10-18)12-32-13-25/h8,14,16-18H,4-7,9-13H2,1-3H3,(H,28,31)/t14-,16-,17-/m0/s1
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n/an/a 57n/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