Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50356906'   

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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50356906 (CHEMBL1915555) Show SMILES OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C17H11Br3N8O2/c18-12-1-9(2-13(19)16(12)20)6-27-7-14(22-25-27)10-3-11(5-21-4-10)17-23-26-28(24-17)8-15(29)30/h1-5,7H,6,8H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	56	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 SCD by rat microsomal assay				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50356906 (CHEMBL1915555) Show SMILES OC(=O)Cn1nnc(n1)-c1cncc(c1)-c1cn(Cc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C17H11Br3N8O2/c18-12-1-9(2-13(19)16(12)20)6-27-7-14(22-25-27)10-3-11(5-21-4-10)17-23-26-28(24-17)8-15(29)30/h1-5,7H,6,8H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	694	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 SCD in rat hepatocytes assessed as conversion of [14C]-stearic acid to [14C]-oleic acid preincubated for 15 mins measured after 1 hrs b...				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair