Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.8 BDBM50261779

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)	BDBM50261779 (4-(2-chloro-6-fluorophenoxy)-N-(3-(methylcarbamoyl...) Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)Oc2c(F)cccc2Cl)c1 Show InChI InChI=1S/C20H21ClFN3O3/c1-23-19(26)13-4-2-5-14(12-13)24-20(27)25-10-8-15(9-11-25)28-18-16(21)6-3-7-17(18)22/h2-7,12,15H,8-11H2,1H3,(H,23,26)(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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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