Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM138661'   

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))	BDBM138661 (US8877741, 1.139) Show SMILES COc1c(OCCC2CC2)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C25H33N3O4/c1-17(27-18(2)29)20-6-8-21(9-7-20)32-22-11-14-28(16-22)23-10-13-26-25(24(23)30-3)31-15-12-19-4-5-19/h6-10,13,17,19,22H,4-5,11-12,14-16H2,1-3H3,(H,27,29)/t17-,22+/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	37	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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