Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.3 BDBM50429977

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))	BDBM50429977 (CHEMBL2334639) Show SMILES CNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O2/c1-26-21(29)14-8-11-17-18(12-14)28-20(27-17)13-6-9-15(10-7-13)30-19-5-3-2-4-16(19)22(23,24)25/h2-12H,1H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
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