Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50002179   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50180260 ((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...) Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAOA using 0.006 to 0.15 mM kynuramine as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50180260 ((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...) Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant MAOB using 0.06 to 1.5 mM benzylamine as substrate preincubated for 30 mins followed by substrate additio...				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029816 (5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...) Show SMILES NCCNC(=O)c1ccc(Cl)cn1 Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50180260 ((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...) Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50110725 (5-(hydroxymethyl)-3-(3-methylphenyl)-oxazolidin-2-...) Show SMILES Cc1cccc(c1)N1CC(CO)OC1=O Show InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50276157 (Alternariol 5-O-Methyl Ether | CHEMBL483526) Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50361396 ((S)-(+)-Decursin | DECURSIN) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50172756 (Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...) Show SMILES CN(CC#C)Cc1ccccc1 Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50180260 ((Z)-2-(4-Hydroxybenzylidene)-6-hydroxybenzofuran-3...) Show SMILES Oc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM67454 (1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...) Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50580 ((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50580 ((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition				Bioorg Med Chem Lett 28: 584-588 (2018) Article DOI: 10.1016/j.bmcl.2018.01.049 BindingDB Entry DOI: 10.7270/Q25T3P2R
					More data for this Ligand-Target Pair