Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.3 BDBM50301061

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))	BDBM50301061 (6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)py...) Show SMILES NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)12-4-2-1-3-11(12)16(27)25-9-7-24(8-10-25)14-6-5-13(15(21)26)22-23-14/h1-6H,7-10H2,(H2,21,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50301061 (6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)py...) Show SMILES NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)12-4-2-1-3-11(12)16(27)25-9-7-24(8-10-25)14-6-5-13(15(21)26)22-23-14/h1-6H,7-10H2,(H2,21,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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 assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA				Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M
					More data for this Ligand-Target Pair