Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM131582'   

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))	BDBM131582 (US8835472, 13.86) Show SMILES COc1ccc(CNc2ncc(cn2)C#Cc2ccc(CC(C)NC(C)=O)cc2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-18(29-19(2)30)14-21-7-4-20(5-8-21)6-9-23-16-27-25(28-17-23)26-15-22-10-12-24(31-3)13-11-22/h4-5,7-8,10-13,16-18H,14-15H2,1-3H3,(H,29,30)(H,26,27,28)	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	120	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 US8835472 (2014) BindingDB Entry DOI: 10.7270/Q25T3J6W
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