Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50364015'   

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))	BDBM50364015 (CHEMBL1950403) Show SMILES OC(=O)c1cncc(c1)-c1cnc(nc1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C21H18BrFN4O3/c22-18-2-1-16(23)8-19(18)30-17-3-5-27(6-4-17)21-25-11-15(12-26-21)13-7-14(20(28)29)10-24-9-13/h1-2,7-12,17H,3-6H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	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 SCD1				Bioorg Med Chem Lett 21: 7281-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50364015 (CHEMBL1950403) Show SMILES OC(=O)c1cncc(c1)-c1cnc(nc1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C21H18BrFN4O3/c22-18-2-1-16(23)8-19(18)30-17-3-5-27(6-4-17)21-25-11-15(12-26-21)13-7-14(20(28)29)10-24-9-13/h1-2,7-12,17H,3-6H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.05E+3	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 SCD1 in Sprague-Dawley rat hepatocytes assessed as conversion of [14C]oleic acid formation by HPLC analysis				Bioorg Med Chem Lett 21: 7281-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ
					More data for this Ligand-Target Pair