Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5 BDBM50304953Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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				Eur J Med Chem 45: 4788-96 (2010) Article DOI: 10.1016/j.ejmech.2010.07.044 BindingDB Entry DOI: 10.7270/Q2CZ37CN
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair