Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.4 BDBM50060674

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)	BDBM50060674 (CHEMBL3394678) Show SMILES Cc1nc(sc1C(=O)NCC1CCCNC1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H23FN6O2S/c1-13-17(18(28)23-10-15-3-2-8-22-9-15)30-19(25-13)26-12-24-27(20(26)29)11-14-4-6-16(21)7-5-14/h4-7,12,15,22H,2-3,8-11H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
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