Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369705'   

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))	BDBM369705 (US10233156, Example I-245) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)CO)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-4.46,3.37,;-4.06,1.88,;-2.65,1.25,;-1.32,2.02,;.02,1.25,;.02,-.29,;1.35,-1.06,;2.68,-.29,;2.68,1.25,;1.35,2.02,;4.02,-1.06,;5.35,-.29,;6.68,-1.06,;6.68,-2.6,;5.35,-3.37,;8.02,-.29,;9.35,-1.06,;9.35,-2.6,;10.69,-.29,;12.02,-1.06,;-2.81,-.28,;-4.32,-.6,;-5.09,-1.93,;-4.32,-3.27,;-6.63,-1.93,;-7.4,-.6,;-8.94,-.6,;-9.71,-1.93,;-11.25,-1.93,;-12.02,-.6,;-12.02,-3.27,;-6.63,.73,;-7.4,2.07,;-5.09,.73,)| Show InChI InChI=1S/C21H26F5N3O5/c1-29-20-18(26)15(33-10-16(24)25)6-14(23)19(20)28-21(29)34-13-4-2-12(3-5-13)32-9-11(7-22)27-17(31)8-30/h6,11-13,16,30H,2-5,7-10H2,1H3,(H,27,31)/t11-,12-,13-/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	53	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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