Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM138825'   

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))	BDBM138825 (US8877741, 4.1 | US8877741, 675) Show SMILES COC(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OC[C@H]3CC3(F)F)cn2)cc1 |r| Show InChI InChI=1S/C23H27F2N3O4/c1-15(27-22(29)30-2)16-3-5-18(6-4-16)32-20-9-10-28(13-20)21-8-7-19(12-26-21)31-14-17-11-23(17,24)25/h3-8,12,15,17,20H,9-11,13-14H2,1-2H3,(H,27,29)/t15-,17+,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	39	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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