Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6 BDBM50425270

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))	BDBM50425270 (CHEMBL2315484) Show SMILES CN(C)C(=O)CCN1CCC2(CCN(CC2)C(=O)Cc2ccc(cc2)C(C)(C)C)Oc2ccccc12 Show InChI InChI=1S/C30H41N3O3/c1-29(2,3)24-12-10-23(11-13-24)22-28(35)33-20-16-30(17-21-33)15-19-32(18-14-27(34)31(4)5)25-8-6-7-9-26(25)36-30/h6-13H,14-22H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+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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