Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369693'   

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))	BDBM369693 (US10233156, Example I-233) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)C2CC2)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-4.56,3.37,;-4.16,1.88,;-2.75,1.25,;-1.42,2.02,;-.09,1.25,;-.09,-.29,;1.25,-1.06,;2.58,-.29,;2.58,1.25,;1.25,2.02,;3.91,-1.06,;5.25,-.29,;6.58,-1.06,;6.58,-2.6,;5.25,-3.37,;7.91,-.29,;9.25,-1.06,;9.25,-2.6,;10.58,-.29,;12.12,-.29,;11.35,1.05,;-2.92,-.28,;-4.42,-.6,;-5.19,-1.93,;-4.42,-3.27,;-6.73,-1.93,;-7.5,-.6,;-9.04,-.6,;-9.81,-1.93,;-11.35,-1.93,;-12.12,-3.27,;-12.12,-.6,;-6.73,.73,;-7.5,2.07,;-5.19,.73,)| Show InChI InChI=1S/C23H28F5N3O4/c1-31-21-19(28)17(34-11-18(26)27)8-16(25)20(21)30-23(31)35-15-6-4-14(5-7-15)33-10-13(9-24)29-22(32)12-2-3-12/h8,12-15,18H,2-7,9-11H2,1H3,(H,29,32)/t13-,14-,15-/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	31	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
					More data for this Ligand-Target Pair