Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50445349'   

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))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	25
ORYZON GENOMICS, S.A. US Patent					Assay Description Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....				US Patent US9676701 (2017) BindingDB Entry DOI: 10.7270/Q27P8WJN
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr				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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50445349 (CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...) Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant LSD1 by horseradish peroxidase-coupled fluorometric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113501 BindingDB Entry DOI: 10.7270/Q2T72N77
					More data for this Ligand-Target Pair