Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5 BDBM50343288

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 (Mus musculus)	BDBM50343288 (CHEMBL1774092 | N-(2-hydroxy-2-phenylethyl)-6-(5-m...) Show SMILES CN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12 Show InChI InChI=1S/C27H31N5O3/c1-31-16-13-27(35-24-10-6-5-9-22(24)31)14-17-32(18-15-27)25-12-11-21(29-30-25)26(34)28-19-23(33)20-7-3-2-4-8-20/h2-12,23,33H,13-19H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD1				Eur J Med Chem 46: 1892-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.002 BindingDB Entry DOI: 10.7270/Q25T3KTC
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50343288 (CHEMBL1774092 | N-(2-hydroxy-2-phenylethyl)-6-(5-m...) Show SMILES CN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2ccccc2)Oc2ccccc12 Show InChI InChI=1S/C27H31N5O3/c1-31-16-13-27(35-24-10-6-5-9-22(24)31)14-17-32(18-15-27)25-12-11-21(29-30-25)26(34)28-19-23(33)20-7-3-2-4-8-20/h2-12,23,33H,13-19H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver microsome SCD1				Eur J Med Chem 46: 1892-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.002 BindingDB Entry DOI: 10.7270/Q25T3KTC
					More data for this Ligand-Target Pair