Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 570.6 BDBM50425263

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))	BDBM50425263 (CHEMBL2315477) Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C30H33F3N4O2S/c31-30(32,33)23-5-3-4-22(18-23)20-37-17-13-29(39-25-7-2-1-6-24(25)37)11-15-36(16-12-29)28-35-19-26(40-28)27(38)34-14-10-21-8-9-21/h1-7,18-19,21H,8-17,20H2,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat SCD1 by rat microsomal assay				Bioorg Med Chem Lett 23: 791-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.075 BindingDB Entry DOI: 10.7270/Q26H4JQ6
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