Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM369677'   

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))	BDBM369677 (US10233156, Example I-217) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(Cl)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)| Show InChI InChI=1S/C19H25ClFN3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-9-16(21)15(20)8-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/t11-,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	64	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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