Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.8 BDBM50362588

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))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.14E+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 organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair