Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.3 BDBM50305745

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))	BDBM50305745 (6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)py...) Show SMILES OC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-23(10-8-11)15-6-5-13(16(24)25)21-22-15/h1-6,11H,7-10H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50305745 (6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)py...) Show SMILES OC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-23(10-8-11)15-6-5-13(16(24)25)21-22-15/h1-6,11H,7-10H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 rat liver microsomes				Bioorg Med Chem Lett 20: 499-502 (2010) Article DOI: 10.1016/j.bmcl.2009.11.111 BindingDB Entry DOI: 10.7270/Q26H4HH3
					More data for this Ligand-Target Pair