Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM50388656'   

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))	BDBM50388656 (CHEMBL2059301) Show SMILES COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12 Show InChI InChI=1S/C27H34N6O5S/c1-38-19-7-4-6-18-20(22(29-26(28)37)39-21(18)19)23(34)30-14-8-17(9-15-30)31-11-5-10-27(16-31)24(35)32-12-2-3-13-33(32)25(27)36/h4,6-7,17H,2-3,5,8-16H2,1H3,(H3,28,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
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