Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50032703   

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))	BDBM50333418 (7-(4,4,4-Trifluorobutoxy)-1-methyl-beta-carboline ...) Show SMILES Cc1nccc2c3ccc(OCCCC(F)(F)F)cc3[nH]c12 Show InChI InChI=1S/C16H15F3N2O/c1-10-15-13(5-7-20-10)12-4-3-11(9-14(12)21-15)22-8-2-6-16(17,18)19/h3-5,7,9,21H,2,6,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333415 (7-(Isobutyloxy)-1-methyl-beta-carboline | CHEMBL16...) Show SMILES CC(C)COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C16H18N2O/c1-10(2)9-19-12-4-5-13-14-6-7-17-11(3)16(14)18-15(13)8-12/h4-8,10,18H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333419 (7-(Cyclohexylmethoxy)-1-methyl-beta-carboline | CH...) Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12 Show InChI InChI=1S/C19H22N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333414 (7-(Allyloxy)-1-methyl-beta-carboline | CHEMBL16455...) Show SMILES Cc1nccc2c3ccc(OCC=C)cc3[nH]c12 Show InChI InChI=1S/C15H14N2O/c1-3-8-18-11-4-5-12-13-6-7-16-10(2)15(13)17-14(12)9-11/h3-7,9,17H,1,8H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333421 (7-(Phenethoxy)-1-methyl-beta-carboline | CHEMBL164...) Show SMILES Cc1nccc2c3ccc(OCCc4ccccc4)cc3[nH]c12 Show InChI InChI=1S/C20H18N2O/c1-14-20-18(9-11-21-14)17-8-7-16(13-19(17)22-20)23-12-10-15-5-3-2-4-6-15/h2-9,11,13,22H,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333420 (7-(Benzyloxy)-1-methyl-beta-carboline | CHEMBL1645...) Show SMILES Cc1nccc2c3ccc(OCc4ccccc4)cc3[nH]c12 Show InChI InChI=1S/C19H16N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h2-11,21H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333423 (7-(Pyridin-3-ylmethoxy)-1-methyl-beta-carboline | ...) Show SMILES Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12 Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333417 (2-(1-Methyl-9H-beta-carbolin-7-yloxy)-ethanol | 7-...) Show SMILES Cc1nccc2c3ccc(OCCO)cc3[nH]c12 Show InChI InChI=1S/C14H14N2O2/c1-9-14-12(4-5-15-9)11-3-2-10(18-7-6-17)8-13(11)16-14/h2-5,8,16-17H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333416 (7-(2-Methoxyethoxy)-1-methyl-beta-carboline | CHEM...) Show SMILES COCCOc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C15H16N2O2/c1-10-15-13(5-6-16-10)12-4-3-11(9-14(12)17-15)19-8-7-18-2/h3-6,9,17H,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333424 (7-(Pyridin-4-ylmethoxy)-1-methyl-beta-carboline | ...) Show SMILES Cc1nccc2c3ccc(OCc4ccncc4)cc3[nH]c12 Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-9-20-12)15-3-2-14(10-17(15)21-18)22-11-13-4-7-19-8-5-13/h2-10,21H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333425 (7-(Naphthalen-2-ylmethoxy)-1-methyl-beta-carboline...) Show SMILES Cc1nccc2c3ccc(OCc4ccc5ccccc5c4)cc3[nH]c12 Show InChI InChI=1S/C23H18N2O/c1-15-23-21(10-11-24-15)20-9-8-19(13-22(20)25-23)26-14-16-6-7-17-4-2-3-5-18(17)12-16/h2-13,25H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50333419 (7-(Cyclohexylmethoxy)-1-methyl-beta-carboline | CH...) Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3[nH]c12 Show InChI InChI=1S/C19H22N2O/c1-13-19-17(9-10-20-13)16-8-7-15(11-18(16)21-19)22-12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333428 (7-(Ethyloxymorpholine)-1-methyl-beta-carboline | C...) Show SMILES Cc1nccc2c3ccc(OCCN4CCOCC4)cc3[nH]c12 Show InChI InChI=1S/C18H21N3O2/c1-13-18-16(4-5-19-13)15-3-2-14(12-17(15)20-18)23-11-8-21-6-9-22-10-7-21/h2-5,12,20H,6-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333422 (7-(Pyridin-2-ylmethoxy)-1-methyl-beta-carboline | ...) Show SMILES Cc1nccc2c3ccc(OCc4ccccn4)cc3[nH]c12 Show InChI InChI=1S/C18H15N3O/c1-12-18-16(7-9-19-12)15-6-5-14(10-17(15)21-18)22-11-13-4-2-3-8-20-13/h2-10,21H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333427 (7-(N,N-Dimethylaminopropyloxy)-1-methyl-beta-carbo...) Show SMILES CN(C)CCCOc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C17H21N3O/c1-12-17-15(7-8-18-12)14-6-5-13(11-16(14)19-17)21-10-4-9-20(2)3/h5-8,11,19H,4,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	684	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50333426 (7-(N,N-Dimethylaminoethyloxy)-1-methyl-beta-carbol...) Show SMILES CN(C)CCOc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C16H19N3O/c1-11-16-14(6-7-17-11)13-5-4-12(10-15(13)18-16)20-9-8-19(2)3/h4-7,10,18H,8-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescen...				Bioorg Med Chem 19: 134-44 (2011) Article DOI: 10.1016/j.bmc.2010.11.041 BindingDB Entry DOI: 10.7270/Q2NK3F9X
					More data for this Ligand-Target Pair