Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.2 BDBM50364040

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

Found 3 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))	BDBM50364040 (CHEMBL1950550) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 liver microsome SCD1				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50364040 (CHEMBL1950550) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	176	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 rat hepatocytes expressing OATP				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50364040 (CHEMBL1950550) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1 Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.87E+3	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 OATP-deficient human HepG2 cells by whole cell assay				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair