Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM138630'   

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))	BDBM138630 (US8877741, 1.108) Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2ccnc(N(C)CC(F)F)c2F)cc1 |r| Show InChI InChI=1S/C22H27F3N4O2/c1-14(27-15(2)30)16-4-6-17(7-5-16)31-18-9-11-29(12-18)19-8-10-26-22(21(19)25)28(3)13-20(23)24/h4-8,10,14,18,20H,9,11-13H2,1-3H3,(H,27,30)/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...				US Patent US8877741 (2014) BindingDB Entry DOI: 10.7270/Q2R78CXJ
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