Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.2 BDBM50364042

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))	BDBM50364042 (CHEMBL1950552) Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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))	BDBM50364042 (CHEMBL1950552) Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	945	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))	BDBM50364042 (CHEMBL1950552) Show SMILES Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+4	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