Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042633   

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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428629 (CHEMBL2331563) Show SMILES Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O |w:6.6| Show InChI InChI=1S/C17H14O5/c18-12(7-5-11-6-8-15(20)17(22)9-11)10-16(21)13-3-1-2-4-14(13)19/h1-9,19-20,22H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428640 (CHEMBL2332182) Show SMILES COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2OC)ccc1O Show InChI InChI=1S/C19H18O5/c1-23-17-9-5-8-16(22)19(17)15(21)7-4-3-6-13-10-11-14(20)18(12-13)24-2/h3-12,20,22H,1-2H3/b6-3+,7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428638 (CHEMBL2332184) Show SMILES COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2O)ccc1O Show InChI InChI=1S/C18H16O5/c1-23-17-11-12(9-10-13(17)19)5-2-3-6-14(20)18-15(21)7-4-8-16(18)22/h2-11,19,21-22H,1H3/b5-2+,6-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428630 (CHEMBL2332173) Show SMILES Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1 |w:6.6| Show InChI InChI=1S/C17H14O4/c18-13-8-5-12(6-9-13)7-10-14(19)11-17(21)15-3-1-2-4-16(15)20/h1-10,18,20H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428641 (CHEMBL2332181) Show SMILES COc1cc(\C=C\C=C\C(=O)c2ccccc2O)ccc1O Show InChI InChI=1S/C18H16O4/c1-22-18-12-13(10-11-17(18)21)6-2-4-8-15(19)14-7-3-5-9-16(14)20/h2-12,20-21H,1H3/b6-2+,8-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428633 (CHEMBL2332170) Show SMILES COc1cc(C=CC(=O)CC(=O)c2c(O)cccc2OC)ccc1O |w:6.6| Show InChI InChI=1S/C19H18O6/c1-24-17-5-3-4-15(22)19(17)16(23)11-13(20)8-6-12-7-9-14(21)18(10-12)25-2/h3-10,21-22H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					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
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428646 (CHEMBL2332175) Show SMILES Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1 Show InChI InChI=1S/C17H13ClO3/c18-13-7-5-12(6-8-13)3-1-2-4-16(20)15-10-9-14(19)11-17(15)21/h1-11,19,21H/b3-1+,4-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428639 (CHEMBL2332183) Show SMILES COc1ccc(\C=C\C=C\C(=O)c2c(O)cccc2O)cc1OC Show InChI InChI=1S/C19H18O5/c1-23-17-11-10-13(12-18(17)24-2)6-3-4-7-14(20)19-15(21)8-5-9-16(19)22/h3-12,21-22H,1-2H3/b6-3+,7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50428648 (CHEMBL2332190) Show SMILES Oc1ccccc1C(=O)\C=C\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClO2/c18-14-11-9-13(10-12-14)5-1-3-7-16(19)15-6-2-4-8-17(15)20/h1-12,20H/b5-1+,7-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| 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/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					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+5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza - Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...				Eur J Med Chem 59: 91-100 (2013) Article DOI: 10.1016/j.ejmech.2012.11.006 BindingDB Entry DOI: 10.7270/Q2T43VFR
					More data for this Ligand-Target Pair