Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 563.6 BDBM50425264

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))	BDBM50425264 (CHEMBL2315478) Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ccc(cc3)C(=O)NCCC3CC3)Oc3ccccc23)c1 Show InChI InChI=1S/C33H36F3N3O2/c34-33(35,36)27-5-3-4-25(22-27)23-39-21-17-32(41-30-7-2-1-6-29(30)39)15-19-38(20-16-32)28-12-10-26(11-13-28)31(40)37-18-14-24-8-9-24/h1-7,10-13,22,24H,8-9,14-21,23H2,(H,37,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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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