Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.4 BDBM50364024

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))	BDBM50364024 (CHEMBL1950268) Show SMILES OC(=O)c1cccc(c1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)18-6-1-2-7-20(18)32-17-10-12-29(13-11-17)21-9-8-19(27-28-21)15-4-3-5-16(14-15)22(30)31/h1-9,14,17H,10-13H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	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				Bioorg Med Chem Lett 21: 7281-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50364024 (CHEMBL1950268) Show SMILES OC(=O)c1cccc(c1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)18-6-1-2-7-20(18)32-17-10-12-29(13-11-17)21-9-8-19(27-28-21)15-4-3-5-16(14-15)22(30)31/h1-9,14,17H,10-13H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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 human SCD1 expressed in human HepG2 cells assessed as conversion of [14C]stearic acid to [14C]oleic acid				Bioorg Med Chem Lett 21: 7281-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.040 BindingDB Entry DOI: 10.7270/Q2G44QQZ
					More data for this Ligand-Target Pair