Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369665'   

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))	BDBM369665 (US10233156, Example I-205) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C |r,wU:9.8,4.3,wD:12.15,(11.35,-.29,;10.02,-1.06,;10.02,-2.6,;8.68,-.29,;7.35,-1.06,;7.35,-2.6,;6.02,-3.37,;6.02,-.29,;4.68,-1.06,;3.35,-.29,;2.02,-1.06,;.68,-.29,;.68,1.25,;2.02,2.02,;3.35,1.25,;-.65,2.02,;-1.98,1.25,;-2.15,-.28,;-3.65,-.6,;-4.42,-1.93,;-3.65,-3.27,;-5.96,-1.93,;-6.73,-.6,;-8.27,-.6,;-9.04,-1.93,;-10.58,-1.93,;-11.35,-3.27,;-11.35,-.6,;-5.96,.73,;-6.73,2.07,;-4.42,.73,;-3.39,1.88,;-3.79,3.37,)| Show InChI InChI=1S/C21H26ClF4N3O4/c1-11(30)27-12(8-23)9-31-13-3-5-14(6-4-13)33-21-28-19-15(24)7-16(32-10-17(25)26)18(22)20(19)29(21)2/h7,12-14,17H,3-6,8-10H2,1-2H3,(H,27,30)/t12-,13-,14-/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	4.60	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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