Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50443712'   

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 (Rattus norvegicus (Rat))	BDBM50443712 (CHEMBL3093861 | US9238658, 33) Show SMILES OC1CCc2nc(NC(=O)N3CCC(CC3)N3CCc4ccc(F)cc34)sc2C1 Show InChI InChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50443712 (CHEMBL3093861 | US9238658, 33) Show SMILES OC1CCc2nc(NC(=O)N3CCC(CC3)N3CCc4ccc(F)cc34)sc2C1 Show InChI InChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using Stearoyl-[9,10-3H]-CoA as substrate assessed as [3H2O] generation				Bioorg Med Chem Lett 23: 6773-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.096 BindingDB Entry DOI: 10.7270/Q21J9C7J
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50443712 (CHEMBL3093861 | US9238658, 33) Show SMILES OC1CCc2nc(NC(=O)N3CCC(CC3)N3CCc4ccc(F)cc34)sc2C1 Show InChI InChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair