Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4 BDBM50448683

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50448683 (CHEMBL3127655) Show SMILES Cc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C20H21FN6S/c1-13-22-20(28-25-13)17-4-5-19(24-23-17)26-9-7-16(8-10-26)27-11-6-14-2-3-15(21)12-18(14)27/h2-5,12,16H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
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