Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.4 BDBM50425293

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))	BDBM50425293 (CHEMBL2315511) Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(F)c1)c1ccccc1O2 Show InChI InChI=1S/C24H28FN3O3/c1-18(29)26-16-23(30)27-12-9-24(10-13-27)11-14-28(17-19-5-4-6-20(25)15-19)21-7-2-3-8-22(21)31-24/h2-8,15H,9-14,16-17H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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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