Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.5 BDBM50343289

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)	BDBM50343289 (CHEMBL1774093 | N-(2-Hydroxy-2-pyridin-3-ylethyl)-...) Show SMILES CN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12 Show InChI InChI=1S/C26H30N6O3/c1-31-14-10-26(35-23-7-3-2-6-21(23)31)11-15-32(16-12-26)24-9-8-20(29-30-24)25(34)28-18-22(33)19-5-4-13-27-17-19/h2-9,13,17,22,33H,10-12,14-16,18H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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))	BDBM50343289 (CHEMBL1774093 | N-(2-Hydroxy-2-pyridin-3-ylethyl)-...) Show SMILES CN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12 Show InChI InChI=1S/C26H30N6O3/c1-31-14-10-26(35-23-7-3-2-6-21(23)31)11-15-32(16-12-26)24-9-8-20(29-30-24)25(34)28-18-22(33)19-5-4-13-27-17-19/h2-9,13,17,22,33H,10-12,14-16,18H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human SCD1 transfected in human 293A cells after 30 mins by whole cell assay				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