Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50354677'   

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))	BDBM50354677 (CHEMBL1834443) Show SMILES OCc1nc2nc(sc2c(=O)[nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)11-3-1-2-4-12(11)28-10-5-7-25(8-6-10)17-24-15-14(29-17)16(27)23-13(9-26)22-15/h1-4,10,26H,5-9H2,(H,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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 in rat liver microsome				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
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