Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM113742'   

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))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States					Assay Description Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...				ACS Chem Biol 9: 1284-93 (2014) Article DOI: 10.1021/cb500018s BindingDB Entry DOI: 10.7270/Q2FN14VF
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GST-tagged KDM1A (unknown origin) expressed in Escherichia coli BL21-CodonPlus-(DE3)-RIPL cells using dimethyl-Lys-4 H3-21 as substrate...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair