Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 1' and Ligand = 'BDBM50203967'   

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 1 (Homo sapiens (Human))	BDBM50203967 (CHEMBL232002 | N-(4-(2-(2-cyano-4-isobutoxyphenoxy...) Show SMILES CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(c1)C#N |w:17.18| Show InChI InChI=1S/C20H21N3O3S/c1-13(2)12-25-17-6-8-19(16(9-17)10-21)26-20-22-11-18(27-20)7-5-14(3)23-15(4)24/h6,8-9,11,13-14H,12H2,1-4H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1				Bioorg Med Chem Lett 17: 1961-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.022 BindingDB Entry DOI: 10.7270/Q2W095KS
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