Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM138597'   

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))	BDBM138597 (US8877741, 1.75) Show SMILES CC(C)COc1cc(N2CCC(C2)Oc2ccc(cc2)[C@H](C)NC(C)=O)c(F)cn1 |r| Show InChI InChI=1S/C23H30FN3O3/c1-15(2)14-29-23-11-22(21(24)12-25-23)27-10-9-20(13-27)30-19-7-5-18(6-8-19)16(3)26-17(4)28/h5-8,11-12,15-16,20H,9-10,13-14H2,1-4H3,(H,26,28)/t16-,20?/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	30	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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