Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369666'   

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))	BDBM369666 (US10233156, Example I-206) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CC3)c(F)c2n1C)C#N |r,wU:9.8,4.3,wD:12.15,(10.86,.33,;9.53,-.44,;9.53,-1.98,;8.2,.33,;6.86,-.44,;6.86,-1.98,;5.53,-2.75,;5.53,.33,;4.2,-.44,;2.86,.33,;1.53,-.44,;.19,.33,;.19,1.87,;1.53,2.64,;2.86,1.87,;-1.14,2.64,;-2.47,1.87,;-2.63,.34,;-4.14,.02,;-4.91,-1.32,;-6.45,-1.32,;-7.22,.02,;-8.76,.02,;-9.53,-1.32,;-10.86,-2.09,;-9.53,-2.86,;-6.45,1.35,;-7.22,2.69,;-4.91,1.35,;-3.88,2.5,;-4.28,3.98,;-4.14,-2.65,;-3.37,-3.98,)| Show InChI InChI=1S/C23H28F2N4O4/c1-13(30)27-15(10-24)12-31-16-3-5-18(6-4-16)33-23-28-21-14(11-26)9-19(32-17-7-8-17)20(25)22(21)29(23)2/h9,15-18H,3-8,10,12H2,1-2H3,(H,27,30)/t15-,16-,18-/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	12	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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