Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369686'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369686 (US10233156, Example I-226) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CCC3)c(F)c2n1C)C#N)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.94,-1.98,;6.94,-.44,;5.61,.33,;4.27,-.44,;2.94,.33,;2.94,1.87,;1.61,2.64,;.27,1.87,;.27,.33,;1.61,-.44,;-1.06,2.64,;-2.4,1.87,;-2.56,.34,;-4.06,.02,;-4.83,-1.32,;-6.37,-1.32,;-7.14,.02,;-8.68,.02,;-9.45,-1.32,;-10.94,-1.71,;-10.54,-3.2,;-9.05,-2.8,;-6.37,1.35,;-7.14,2.69,;-4.83,1.35,;-3.8,2.5,;-4.2,3.98,;-4.06,-2.65,;-3.29,-3.98,;8.27,.33,;9.61,-.44,;10.94,.33,;9.61,-1.98,)| Show InChI InChI=1S/C24H31FN4O4/c1-14(27-15(2)30)13-31-17-7-9-19(10-8-17)33-24-28-22-16(12-26)11-20(32-18-5-4-6-18)21(25)23(22)29(24)3/h11,14,17-19H,4-10,13H2,1-3H3,(H,27,30)/t14-,17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/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
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