Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.2 BDBM50393165

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

Found 7 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))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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 SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.07E+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 SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] st...				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [I-14C] stearoyl CoA des...				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	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 delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	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 human delta-5 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	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 human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	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 delta-5 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair