Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 6842   

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 (Rattus norvegicus (rat))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM153654 (US8999994, 6) Show SMILES ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O.C15H22ClN/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25;16-10-4-7-14-8-11-17(12-9-14)13-15-5-2-1-3-6-15/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3;1-3,5-6,14H,4,7-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.31E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.54E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.22E+4	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359396 (CHEMBL1929420 | US8999994, 5) Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359397 (CHEMBL1929419 | US8999994, 4) Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.45E+5	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359394 (CHEMBL1929423 | US8999994, 1) Show SMILES CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H35N3O/c1-4-14-29(2)22-26-20-25-21-27(10-11-28(25)30(26)3)32-18-17-31-15-12-24(13-16-31)19-23-8-6-5-7-9-23/h1,5-11,20-21,24H,12-19,22H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.46E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359392 (CHEMBL1929424 | US8999994, 3) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C28H36N4O/c1-4-13-29(2)23-26-20-25-21-27(11-12-28(25)30(26)3)33-19-8-14-31-15-17-32(18-16-31)22-24-9-6-5-7-10-24/h1,5-7,9-12,20-21H,8,13-19,22-23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.64E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM153655 (US8999994, 7) Show SMILES ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C30H39N3O.C16H24ClN/c1-4-17-31(2)24-28-21-27-22-29(13-14-30(27)32(28)3)34-20-9-8-10-25-15-18-33(19-16-25)23-26-11-6-5-7-12-26;17-11-5-4-6-15-9-12-18(13-10-15)14-16-7-2-1-3-8-16/h1,5-7,11-14,21-22,25H,8-10,15-20,23-24H2,2-3H3;1-3,7-8,15H,4-6,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.77E+6	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359393 (CHEMBL1926712 | US8999994, 2) Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C29H37N3O/c1-4-15-30(2)23-27-21-26-22-28(11-12-29(26)31(27)3)33-19-8-16-32-17-13-25(14-18-32)20-24-9-6-5-7-10-24/h1,5-7,9-12,21-22,25H,8,13-20,23H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.13E+7	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.54E+7	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	8.55E+8	n/a	n/a	n/a	n/a	7.4	37
Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona US Patent					Assay Description The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...				US Patent US8999994 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86CM
					More data for this Ligand-Target Pair