Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA (8-3)-desaturase' and Ligand = 'BDBM50116708'   

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 (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Lexicon Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of liver delta-5 desaturase (unknown origin)				Bioorg Med Chem Lett 25: 3836-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.066 BindingDB Entry DOI: 10.7270/Q2MP552Z
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D5D in Sprague-Dawley rat liver microsomes using [14C]DGLA as substrate preincubated for 5 mins measured after 120 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ
					More data for this Ligand-Target Pair