Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.6 BDBM50343291

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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50343291 (CHEMBL1774095 | N-(2-Hydroxy-2-pyridin-3-ylethyl)-...) Show SMILES CC(C)N1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12 Show InChI InChI=1S/C28H34N6O3/c1-20(2)34-17-13-28(37-25-8-4-3-7-23(25)34)11-15-33(16-12-28)26-10-9-22(31-32-26)27(36)30-19-24(35)21-6-5-14-29-18-21/h3-10,14,18,20,24,35H,11-13,15-17,19H2,1-2H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50343291 (CHEMBL1774095 | N-(2-Hydroxy-2-pyridin-3-ylethyl)-...) Show SMILES CC(C)N1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12 Show InChI InChI=1S/C28H34N6O3/c1-20(2)34-17-13-28(37-25-8-4-3-7-23(25)34)11-15-33(16-12-28)26-10-9-22(31-32-26)27(36)30-19-24(35)21-6-5-14-29-18-21/h3-10,14,18,20,24,35H,11-13,15-17,19H2,1-2H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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