Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 553.7 BDBM50425267

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))	BDBM50425267 (CHEMBL2315481) Show SMILES CC(C)(C)c1ccc(CN2CCC3(CCN(CC3)c3ccc(nn3)C(=O)NCCC3CC3)Oc3ccccc23)cc1 Show InChI InChI=1S/C34H43N5O2/c1-33(2,3)27-12-10-26(11-13-27)24-39-23-19-34(41-30-7-5-4-6-29(30)39)17-21-38(22-18-34)31-15-14-28(36-37-31)32(40)35-20-16-25-8-9-25/h4-7,10-15,25H,8-9,16-24H2,1-3H3,(H,35,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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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