Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.6 BDBM50425257

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))	BDBM50425257 (CHEMBL2315472) Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1ccc(cc1)C(C)(C)C)c1ccccc1O2 Show InChI InChI=1S/C29H36N4O2S/c1-28(2,3)22-11-9-21(10-12-22)20-33-18-15-29(35-24-8-6-5-7-23(24)33)13-16-32(17-14-29)27-31-19-25(36-27)26(34)30-4/h5-12,19H,13-18,20H2,1-4H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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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