Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.5 BDBM50425286

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))	BDBM50425286 (CHEMBL2315495) Show SMILES CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(C)cc1)c1ccccc1O2 Show InChI InChI=1S/C25H31N3O3/c1-19-7-9-21(10-8-19)18-28-16-13-25(31-23-6-4-3-5-22(23)28)11-14-27(15-12-25)24(30)17-26-20(2)29/h3-10H,11-18H2,1-2H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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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