Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50445334'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445334 (CHEMBL3104247 | US9555024, 7) Show SMILES Fc1ccc(cc1C(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...				US Patent US8987335 (2015) BindingDB Entry DOI: 10.7270/Q2GQ6WGH
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445334 (CHEMBL3104247 | US9555024, 7) Show SMILES Fc1ccc(cc1C(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Research Foundation US Patent					Assay Description The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...				US Patent US9555024 (2017) BindingDB Entry DOI: 10.7270/Q21R6SH1
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445334 (CHEMBL3104247 | US9555024, 7) Show SMILES Fc1ccc(cc1C(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H17ClFN3O5S/c19-13-3-1-2-12(10-13)17(24)21-22-18(25)15-11-14(4-5-16(15)20)29(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9H2,(H,21,24)(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis				J Med Chem 56: 9496-508 (2014) Article DOI: 10.1021/jm400870h BindingDB Entry DOI: 10.7270/Q2Z60QJ7
					More data for this Ligand-Target Pair