Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM151611'   

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))	BDBM151611 (SP-2509 | US11433053, Example HCI-2509 | US8987335...) Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
China Pharmaceutical University					Assay Description The LSD1 screening biochemical assay was performed by Shanghai ChemPartner Co. Ltd and the detailed protocol was shown as followed. The AlphaLISA ass...				Bioorg Chem 72: 182-189 (2017) Article DOI: 10.1016/j.bioorg.2017.04.006 BindingDB Entry DOI: 10.7270/Q2PC3179
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM151611 (SP-2509 | US11433053, Example HCI-2509 | US8987335...) Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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))	BDBM151611 (SP-2509 | US11433053, Example HCI-2509 | US8987335...) Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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))	BDBM151611 (SP-2509 | US11433053, Example HCI-2509 | US8987335...) Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The purpose of this test is to test the in vitro inhibitory activities of the compounds against LSD1. The enzyme used in this experiment was human LS...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7S0W
					More data for this Ligand-Target Pair