Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 440.4 BDBM50330384

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

Found 3 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)	BDBM50330384 (1'-{6-[5-(Pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-yl...) Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccncc1 Show InChI InChI=1S/C25H24N6O2/c1-2-4-21-19(3-1)7-10-25(33-21)11-15-31(16-12-25)22-6-5-20(27-28-22)24-30-29-23(32-24)17-18-8-13-26-14-9-18/h1-6,8-9,13-14H,7,10-12,15-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50330384 (1'-{6-[5-(Pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-yl...) Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccncc1 Show InChI InChI=1S/C25H24N6O2/c1-2-4-21-19(3-1)7-10-25(33-21)11-15-31(16-12-25)22-6-5-20(27-28-22)24-30-29-23(32-24)17-18-8-13-26-14-9-18/h1-6,8-9,13-14H,7,10-12,15-17H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 HEK293A cell microsomes assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50330384 (1'-{6-[5-(Pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-yl...) Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccncc1 Show InChI InChI=1S/C25H24N6O2/c1-2-4-21-19(3-1)7-10-25(33-21)11-15-31(16-12-25)22-6-5-20(27-28-22)24-30-29-23(32-24)17-18-8-13-26-14-9-18/h1-6,8-9,13-14H,7,10-12,15-17H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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 HEK293A cells assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins				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