Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 7948   

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))	BDBM225272 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(piperidi...) Show SMILES CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	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))	BDBM225266 (2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(...) Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	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))	BDBM225271 (2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(...) Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C20H24ClN3O4S/c1-23(18-12-15(21)8-9-19(18)25)14-20(26)22-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-13,25H,2-4,10-11,14H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	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))	BDBM225270 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(N,N-dime...) Show SMILES CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C Show InChI InChI=1S/C17H20ClN3O4S/c1-11(19-15-9-12(18)7-8-16(15)22)17(23)20-13-5-4-6-14(10-13)26(24,25)21(2)3/h4-11,19,22H,1-3H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	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))	BDBM225269 (2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(...) Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)CN(C)c2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C17H20ClN3O4S/c1-20(2)26(24,25)14-6-4-5-13(10-14)19-17(23)11-21(3)15-9-12(18)7-8-16(15)22/h4-10,22H,11H2,1-3H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	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))	BDBM225265 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(morpholi...) Show SMILES Oc1ccc(Cl)cc1NCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H20ClN3O5S/c19-13-4-5-17(23)16(10-13)20-12-18(24)21-14-2-1-3-15(11-14)28(25,26)22-6-8-27-9-7-22/h1-5,10-11,20,23H,6-9,12H2,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	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))	BDBM225267 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(morpholi...) Show SMILES CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H22ClN3O5S/c1-13(21-17-11-14(20)5-6-18(17)24)19(25)22-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-13,21,24H,7-10H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	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))	BDBM225268 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(N,N-dime...) Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C16H18ClN3O4S/c1-20(2)25(23,24)13-5-3-4-12(9-13)19-16(22)10-18-14-8-11(17)6-7-15(14)21/h3-9,18,21H,10H2,1-2H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM225266 (2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(...) Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The MAO-A and MAO-B is purchased from Active Motif (Cat#31502, Cat#31503). Biochemical Kit is purchased from Promega (MAO-Glo Assay, V1402). The inhi...				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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM225272 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(piperidi...) Show SMILES CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The MAO-A and MAO-B is purchased from Active Motif (Cat#31502, Cat#31503). Biochemical Kit is purchased from Promega (MAO-Glo Assay, V1402). The inhi...				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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM225272 (2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(piperidi...) Show SMILES CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The MAO-A and MAO-B is purchased from Active Motif (Cat#31502, Cat#31503). Biochemical Kit is purchased from Promega (MAO-Glo Assay, V1402). The inhi...				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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM225266 (2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(...) Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O Show InChI InChI=1S/C19H22ClN3O5S/c1-22(17-11-14(20)5-6-18(17)24)13-19(25)21-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10,13H2,1H3,(H,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The MAO-A and MAO-B is purchased from Active Motif (Cat#31502, Cat#31503). Biochemical Kit is purchased from Promega (MAO-Glo Assay, V1402). The inhi...				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