Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50429985'   

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))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair