Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50047114   

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))	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148940 (CHEMBL3770019) Show SMILES CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4| Show InChI InChI=1S/C16H11Cl2N3O4/c1-9(22)20-16(11-4-7-13(17)14(18)8-11)25-15(19-20)10-2-5-12(6-3-10)21(23)24/h2-8,16H,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148936 (CHEMBL3770489) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C16H11Cl2N3O4/c1-9(22)20-16(11-4-7-13(17)14(18)8-11)25-15(19-20)10-2-5-12(6-3-10)21(23)24/h2-8,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM39862 (Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...) Show SMILES CC(Cc1ccccc1)N(C)CC#C Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148934 (CHEMBL3770842) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-3-5-12(6-4-10)16-20-21(11(2)22)17(23-16)13-7-8-14(18)15(19)9-13/h3-9,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148937 (CHEMBL3769637) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C16H11BrCl2N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148941 (CHEMBL3771328) Show SMILES CC(=O)N1N=C(O[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |r,c:4| Show InChI InChI=1S/C16H11Cl3N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148933 (CHEMBL3770005) Show SMILES COc1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)c(Cl)c1)C(C)=O |t:9| Show InChI InChI=1S/C17H14Cl2N2O3/c1-10(22)21-17(12-5-8-14(18)15(19)9-12)24-16(20-21)11-3-6-13(23-2)7-4-11/h3-9,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148939 (CHEMBL3769586) Show SMILES CC(=O)N1N=C(O[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O |r,c:4| Show InChI InChI=1S/C16H11Cl2N3O4/c1-9(22)20-16(11-4-7-13(17)14(18)8-11)25-15(19-20)10-2-5-12(6-3-10)21(23)24/h2-8,16H,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148935 (CHEMBL3769956) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C16H11Cl3N2O2/c1-9(22)21-16(11-4-7-13(18)14(19)8-11)23-15(20-21)10-2-5-12(17)6-3-10/h2-8,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	627	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148938 (CHEMBL3769915) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccccc1C |c:4| Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-5-3-4-6-13(10)16-20-21(11(2)22)17(23-16)12-7-8-14(18)15(19)9-12/h3-9,17H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15613 (4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...) Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29136 (CHEMBL92401 | Euphozid | Iprazid | Iproniazid) Show SMILES CC(C)NNC(=O)c1ccncc1 Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					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	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM39862 (Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...) Show SMILES CC(Cc1ccccc1)N(C)CC#C Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50148932 (CHEMBL3769733) Show SMILES CC(=O)N1N=C(OC1c1ccc(Cl)c(Cl)c1)c1ccncc1 |c:4| Show InChI InChI=1S/C15H11Cl2N3O2/c1-9(21)20-15(11-2-3-12(16)13(17)8-11)22-14(19-20)10-4-6-18-7-5-10/h2-8,15H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...				Eur J Med Chem 108: 542-52 (2016) Article DOI: 10.1016/j.ejmech.2015.12.026 BindingDB Entry DOI: 10.7270/Q2GX4DFK
					More data for this Ligand-Target Pair