Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA (8-3)-desaturase' and Ligand = 'BDBM50393164'   

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
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50393164 (CHEMBL2153599) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1 Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50393164 (CHEMBL2153599) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1 Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-5 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair