Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'vitali' and Initial = 'a'   

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
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (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	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417285 (CHEMBL1271944) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10| Show InChI InChI=1S/C29H30N2O4/c1-20(2)15-16-34-25-13-14-26(29(33)17-25)27-18-28(31(30-27)21(3)32)23-9-11-24(12-10-23)35-19-22-7-5-4-6-8-22/h4-15,17,28,33H,16,18-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417282 (CHEMBL1272057) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10| Show InChI InChI=1S/C28H29N3O3S/c1-19(2)14-15-33-23-12-13-24(27(32)16-23)25-17-26(31(30-25)28(29)35)21-8-10-22(11-9-21)34-18-20-6-4-3-5-7-20/h3-14,16,26,32H,15,17-18H2,1-2H3,(H2,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50417285 (CHEMBL1271944) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10| Show InChI InChI=1S/C29H30N2O4/c1-20(2)15-16-34-25-13-14-26(29(33)17-25)27-18-28(31(30-27)21(3)32)23-9-11-24(12-10-23)35-19-22-7-5-4-6-8-22/h4-15,17,28,33H,16,18-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417281 (CHEMBL1272108) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10| Show InChI InChI=1S/C21H22ClN3O2S/c1-13(2)9-10-27-16-7-8-17(20(26)11-16)18-12-19(25(24-18)21(23)28)14-3-5-15(22)6-4-14/h3-9,11,19,26H,10,12H2,1-2H3,(H2,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					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	6.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					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	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417284 (CHEMBL1271945) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccc(Cl)cc2)-[#6](-[#6])=O)c(-[#8])c1 |t:10| Show InChI InChI=1S/C22H23ClN2O3/c1-14(2)10-11-28-18-8-9-19(22(27)12-18)20-13-21(25(24-20)15(3)26)16-4-6-17(23)7-5-16/h4-10,12,21,27H,11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417283 (CHEMBL1272000) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6]-2=[#7]-[#7](-[#6](-[#6]-2)-c2ccccc2)-[#6](-[#7])=S)c(-[#8])c1 |t:10| Show InChI InChI=1S/C21H23N3O2S/c1-14(2)10-11-26-16-8-9-17(20(25)12-16)18-13-19(24(23-18)21(22)27)15-6-4-3-5-7-15/h3-10,12,19,25H,11,13H2,1-2H3,(H2,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM11022 (2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...) Show SMILES O=C1Nc2ccccc2C1=O Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)	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	5.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50417286 (CHEMBL1271892) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6]-1-[#6]-[#6](=[#7]-[#7]-1-[#6](-[#6])=O)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8] |c:11| Show InChI InChI=1S/C23H26N2O4/c1-15(2)11-12-29-19-9-10-20(23(27)13-19)21-14-22(25(24-21)16(3)26)17-5-7-18(28-4)8-6-17/h5-11,13,22,27H,12,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					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	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					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	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					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	3.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza P.le Aldo Moro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells				Bioorg Med Chem Lett 20: 6479-82 (2010) Article DOI: 10.1016/j.bmcl.2010.09.061 BindingDB Entry DOI: 10.7270/Q2HM59QH
					More data for this Ligand-Target Pair