Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.6 BDBM50425280

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))	BDBM50425280 (CHEMBL2315493) Show SMILES CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccccc2)c2ccccc2O3)cc1 Show InChI InChI=1S/C33H39N3O3/c1-32(2,3)27-15-13-25(14-16-27)23-30(37)35-20-17-33(18-21-35)19-22-36(28-11-7-8-12-29(28)39-33)24-34-31(38)26-9-5-4-6-10-26/h4-16H,17-24H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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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