Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.9 BDBM50261950

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 (Mus musculus)	BDBM50261950 (4-(2-chlorophenoxy)-N-(3-(isopropylcarbamoyl)pheny...) Show SMILES CC(C)NC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2ccccc2Cl)c1 Show InChI InChI=1S/C22H26ClN3O3/c1-15(2)24-21(27)16-6-5-7-17(14-16)25-22(28)26-12-10-18(11-13-26)29-20-9-4-3-8-19(20)23/h3-9,14-15,18H,10-13H2,1-2H3,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse SCD1				Bioorg Med Chem Lett 18: 4298-302 (2008) Article DOI: 10.1016/j.bmcl.2008.06.088 BindingDB Entry DOI: 10.7270/Q2ST7PNG
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