Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.4 BDBM50330385

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)	BDBM50330385 (6-(3,4-Dihydro-1'H-spiro[chromene-2,4'-piperidin]-...) Show SMILES O=C(NCc1cccnc1)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2 Show InChI InChI=1S/C24H25N5O2/c30-23(26-17-18-4-3-13-25-16-18)20-7-8-22(28-27-20)29-14-11-24(12-15-29)10-9-19-5-1-2-6-21(19)31-24/h1-8,13,16H,9-12,14-15,17H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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))	BDBM50330385 (6-(3,4-Dihydro-1'H-spiro[chromene-2,4'-piperidin]-...) Show SMILES O=C(NCc1cccnc1)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2 Show InChI InChI=1S/C24H25N5O2/c30-23(26-17-18-4-3-13-25-16-18)20-7-8-22(28-27-20)29-14-11-24(12-15-29)10-9-19-5-1-2-6-21(19)31-24/h1-8,13,16H,9-12,14-15,17H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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))	BDBM50330385 (6-(3,4-Dihydro-1'H-spiro[chromene-2,4'-piperidin]-...) Show SMILES O=C(NCc1cccnc1)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2 Show InChI InChI=1S/C24H25N5O2/c30-23(26-17-18-4-3-13-25-16-18)20-7-8-22(28-27-20)29-14-11-24(12-15-29)10-9-19-5-1-2-6-21(19)31-24/h1-8,13,16H,9-12,14-15,17H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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