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BDBM369698 US10233156, Example I-238

SMILES: C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(F)cc2n1C)NC(C)=O

InChI Key: InChIKey=QYGUDLCUDXGFHP-UBHSHLNASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369698   
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))		BDBM369698
PNG
(US10233156, Example I-238)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(F)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)|
Show InChI InChI=1S/C19H25F2N3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-8-15(20)16(21)9-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/t11-,13-,14-/m0/s1
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n/an/a 83n/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