Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.3 BDBM50354668

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50354668 (CHEMBL1834449) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc2[nH]c(=O)[nH]c2n1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)11-3-1-2-4-13(11)27-10-5-7-25(8-6-10)15-21-9-12-14(23-15)24-16(26)22-12/h1-4,9-10H,5-8H2,(H2,21,22,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD1 in rat liver microsome				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50354668 (CHEMBL1834449) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc2[nH]c(=O)[nH]c2n1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)11-3-1-2-4-13(11)27-10-5-7-25(8-6-10)15-21-9-12-14(23-15)24-16(26)22-12/h1-4,9-10H,5-8H2,(H2,21,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair