Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50306117'   

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))	BDBM50306117 (CHEMBL593352 | N-(2-hydroxy-2-phenylethyl)-6-(spir...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Cc1ccccc1CO2)c1ccccc1 Show InChI InChI=1S/C26H28N4O3/c31-23(19-6-2-1-3-7-19)17-27-25(32)22-10-11-24(29-28-22)30-14-12-26(13-15-30)16-20-8-4-5-9-21(20)18-33-26/h1-11,23,31H,12-18H2,(H,27,32)	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 SCD1 in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate after 60 mins in presence of S9 microsomal fraction				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50306117 (CHEMBL593352 | N-(2-hydroxy-2-phenylethyl)-6-(spir...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Cc1ccccc1CO2)c1ccccc1 Show InChI InChI=1S/C26H28N4O3/c31-23(19-6-2-1-3-7-19)17-27-25(32)22-10-11-24(29-28-22)30-14-12-26(13-15-30)16-20-8-4-5-9-21(20)18-33-26/h1-11,23,31H,12-18H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>400	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 liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins at 0.4 uM				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
					More data for this Ligand-Target Pair