Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.7 BDBM50338531

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))	BDBM50338531 (1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...) Show SMILES Cn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(c3)C(F)(F)F)c2)n1 Show InChI InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver SCD1 using [3H]-stearoylCoA				Bioorg Med Chem Lett 21: 1621-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.113 BindingDB Entry DOI: 10.7270/Q2571C9J
					More data for this Ligand-Target Pair