Compile Data Set for Download or QSAR

Found 736 hits with Last Name = 'orallo' and Initial = 'f'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the Dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409510 (CHEMBL308480) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409493 (CHEMBL310734) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50453056 (CHEMBL73675) Show SMILES OC1(CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccccc1 Show InChI InChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50453055 (CHEMBL72649) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1 Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the Dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409510 (CHEMBL308480) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409493 (CHEMBL310734) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50453056 (CHEMBL73675) Show SMILES OC1(CCN(CC2CC(=O)c3ccccc3C2)CC1)c1ccccc1 Show InChI InChI=1S/C22H25NO2/c24-21-15-17(14-18-6-4-5-9-20(18)21)16-23-12-10-22(25,11-13-23)19-7-2-1-3-8-19/h1-9,17,25H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50453055 (CHEMBL72649) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1 Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409503 (CHEMBL310153) Show SMILES COc1ccccc1N1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-26-22-9-5-4-8-20(22)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)21(25)15-17/h2-9,17H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1				J Med Chem 34: 2242-7 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2930VPR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50300895 (3-(3-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...) Show SMILES COc1cccc(c1)-c1cc2cc(C)ccc2oc1=O Show InChI InChI=1S/C17H14O3/c1-11-6-7-16-13(8-11)10-15(17(18)20-16)12-4-3-5-14(9-12)19-2/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.803	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in BTI cells				Bioorg Med Chem Lett 19: 5053-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.039 BindingDB Entry DOI: 10.7270/Q24T6JG9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50246267 (7-(beta-Bromoallyloxy)-3,4-cyclopentene-8-methylco...) Show SMILES Cc1c(OCC(Br)=C)ccc2c3CCCc3c(=O)oc12 Show InChI InChI=1S/C16H15BrO3/c1-9(17)8-19-14-7-6-12-11-4-3-5-13(11)16(18)20-15(12)10(14)2/h6-7H,1,3-5,8H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela 15782 Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB by fluorimetric method				J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29171 (3-carboxamido coumarin, 21) Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C17H13NO5S/c1-24(21,22)13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)23-17(14)20/h2-10H,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 1935-42 (2009) Article DOI: 10.1021/jm801496u BindingDB Entry DOI: 10.7270/Q2SF2THN
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50246306 (3,4-Benzo-7-(beta-bromoallyloxy)-8-methylcoumarin ...) Show SMILES Cc1c(OCC(Br)=C)ccc2c3ccccc3c(=O)oc12 Show InChI InChI=1S/C17H13BrO3/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h3-8H,1,9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela 15782 Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB by fluorimetric method				J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50326622 (1-(4-(2-cyclopentylideneethyl)cyclopenta-1,4-dieny...) Show SMILES Fc1ccc(-c2csc(-[#7]\[#7]=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)n2)c(F)c1 Show InChI InChI=1S/C14H13F2N3S/c15-9-5-6-11(12(16)7-9)13-8-20-14(17-13)19-18-10-3-1-2-4-10/h5-8H,1-4H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50326633 (2-(2-cycloheptylidenehydrazinyl)-4-(4-fluorophenyl...) Show SMILES Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1 Show InChI InChI=1S/C16H18FN3S/c17-13-9-7-12(8-10-13)15-11-21-16(18-15)20-19-14-5-3-1-2-4-6-14/h7-11H,1-6H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50246265 (7-Acetonyloxy-3,4-cyclohexene-8-methylcoumarin | C...) Show SMILES CC(=O)COc1ccc2c3CCCCc3c(=O)oc2c1C Show InChI InChI=1S/C17H18O4/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h7-8H,3-6,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela 15782 Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA by fluorimetric method				J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50323859 (1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(1-(pyridin-...) Show SMILES COc1cccc(c1)-c1csc(N=NC(C)c2cccnc2)n1 |w:13.14| Show InChI InChI=1S/C17H16N4OS/c1-12(14-6-4-8-18-10-14)20-21-17-19-16(11-23-17)13-5-3-7-15(9-13)22-2/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human MAOB by fluorimetry				Bioorg Med Chem 18: 5715-23 (2010) Article DOI: 10.1016/j.bmc.2010.06.007 BindingDB Entry DOI: 10.7270/Q25D8S19
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50326650 (2-(2-cyclohexylidenehydrazinyl)-4-(4-fluorophenyl)...) Show SMILES Fc1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)n1 Show InChI InChI=1S/C15H16FN3S/c16-12-8-6-11(7-9-12)14-10-20-15(17-14)19-18-13-4-2-1-3-5-13/h6-10H,1-5H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay				Bioorg Med Chem 18: 1273-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.029 BindingDB Entry DOI: 10.7270/Q2X63N2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29142 (substituted chalcone, 5i) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1 Show InChI InChI=1S/C16H13ClO3/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,19H,1H3/b9-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.4	37
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 2818-24 (2009) Article DOI: 10.1021/jm801590u BindingDB Entry DOI: 10.7270/Q2X63K8T
					More data for this Ligand-Target Pair
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Universita` La Sapienza di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...				J Med Chem 54: 2155-64 (2011) Article DOI: 10.1021/jm1013709 BindingDB Entry DOI: 10.7270/Q2902435
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela 15782 Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA by fluorimetric method				J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...				J Med Chem 53: 6516-20 (2010) Article DOI: 10.1021/jm100120s BindingDB Entry DOI: 10.7270/Q26H4HNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento Farmaco Chimico Tecnologico Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amp...				Eur J Med Chem 45: 4490-8 (2010) Article DOI: 10.1016/j.ejmech.2010.07.009 BindingDB Entry DOI: 10.7270/Q2FT8M7J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human MAOA by fluorimetry				Bioorg Med Chem 18: 5715-23 (2010) Article DOI: 10.1016/j.bmc.2010.06.007 BindingDB Entry DOI: 10.7270/Q25D8S19
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				Eur J Med Chem 45: 800-4 (2010) Article DOI: 10.1016/j.ejmech.2009.11.003 BindingDB Entry DOI: 10.7270/Q2CR5TH5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	7.4	37
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 2818-24 (2009) Article DOI: 10.1021/jm801590u BindingDB Entry DOI: 10.7270/Q2X63K8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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] 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM29134 (substituted chalcone, 5m) Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1 Show InChI InChI=1S/C15H11ClO3/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,17,19H/b8-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	7.4	37
Universita degli Studi di Roma La Sapienza					Assay Description The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...				J Med Chem 52: 2818-24 (2009) Article DOI: 10.1021/jm801590u BindingDB Entry DOI: 10.7270/Q2X63K8T
					More data for this Ligand-Target Pair
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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Magna Graecia di Catanzaro Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method				Bioorg Med Chem Lett 20: 2709-12 (2010) Article DOI: 10.1016/j.bmcl.2010.03.081 BindingDB Entry DOI: 10.7270/Q22V2G80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50246219 (4,8-dimethyl-7-(2-oxocyclopentyloxy)-2H-chromen-2-...) Show SMILES Cc1cc(=O)oc2c(C)c(OC3CCCC3=O)ccc12 Show InChI InChI=1S/C16H16O4/c1-9-8-15(18)20-16-10(2)13(7-6-11(9)16)19-14-5-3-4-12(14)17/h6-8,14H,3-5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela 15782 Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA by fluorimetric method				J Med Chem 51: 6740-51 (2008) Article DOI: 10.1021/jm800656v BindingDB Entry DOI: 10.7270/Q2NV9J3H
					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	7.54	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in BTI cells				Bioorg Med Chem Lett 19: 5053-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.039 BindingDB Entry DOI: 10.7270/Q24T6JG9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50341666 ((E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one ...) Show SMILES CN(C)c1ccc(\C=C2/COc3ccccc3C2=O)cc1 Show InChI InChI=1S/C18H17NO2/c1-19(2)15-9-7-13(8-10-15)11-14-12-21-17-6-4-3-5-16(17)18(14)20/h3-11H,12H2,1-2H3/b14-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.51	n/a	n/a	n/a	n/a	n/a	n/a
Universita` La Sapienza di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...				J Med Chem 54: 2155-64 (2011) Article DOI: 10.1021/jm1013709 BindingDB Entry DOI: 10.7270/Q2902435
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50341670 ((E)-5,7-dihydroxy-3-(4-hydroxybenzylidene)chroman-...) Show SMILES Oc1ccc(\C=C2/COc3cc(O)cc(O)c3C2=O)cc1 Show InChI InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.61	n/a	n/a	n/a	n/a	n/a	n/a
Universita` La Sapienza di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...				J Med Chem 54: 2155-64 (2011) Article DOI: 10.1021/jm1013709 BindingDB Entry DOI: 10.7270/Q2902435
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50345898 (3-(3',5'-Dimethoxy)phenyl-6-methylcumarin | CHEMBL...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(C)ccc2oc1=O Show InChI InChI=1S/C18H16O4/c1-11-4-5-17-13(6-11)9-16(18(19)22-17)12-7-14(20-2)10-15(8-12)21-3/h4-10H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.98	n/a	n/a	n/a	n/a	n/a	n/a
Facultad de Farmacia Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in BTI insect cells using p-tyramine substrate by fluorometric method				Bioorg Med Chem Lett 19: 3268-70 (2009) Article DOI: 10.1016/j.bmcl.2009.04.085 BindingDB Entry DOI: 10.7270/Q2M61KK9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272907 ((R)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...) Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8| Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...				J Med Chem 53: 6516-20 (2010) Article DOI: 10.1021/jm100120s BindingDB Entry DOI: 10.7270/Q26H4HNW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272907 ((R)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...) Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8| Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 51: 4874-80 (2008) Article DOI: 10.1021/jm800132g BindingDB Entry DOI: 10.7270/Q27P8Z5J
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272907 ((R)-1-(2-methylcyclohexylidene)-2-(4-(4-nitropheny...) Show SMILES C[C@@H]1CCCCC1=NNc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O |r,w:7.8| Show InChI InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50326628 (2-(2-cycloheptylidenehydrazinyl)-4-(4-nitrophenyl)...) Show SMILES [#8-]-[#7+](=O)-c1ccc(cc1)-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1 Show InChI InChI=1S/C16H18N4O2S/c21-20(22)14-9-7-12(8-10-14)15-11-23-16(17-15)19-18-13-5-3-1-2-4-6-13/h7-11H,1-6H2,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50323850 (1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyc...) Show SMILES COc1cccc(c1)-c1csc(NN=C2CCCCC2C)n1 |w:13.13| Show InChI InChI=1S/C17H21N3OS/c1-12-6-3-4-9-15(12)19-20-17-18-16(11-22-17)13-7-5-8-14(10-13)21-2/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human MAOB by fluorimetry				Bioorg Med Chem 18: 5715-23 (2010) Article DOI: 10.1016/j.bmc.2010.06.007 BindingDB Entry DOI: 10.7270/Q25D8S19
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50341673 ((E)-5,7-dichloro-3-(4-chlorobenzylidene)chroman-4-...) Show SMILES Clc1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cc1 Show InChI InChI=1S/C16H9Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7H,8H2/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.0	n/a	n/a	n/a	n/a	n/a	n/a
Universita` La Sapienza di Roma Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...				J Med Chem 54: 2155-64 (2011) Article DOI: 10.1021/jm1013709 BindingDB Entry DOI: 10.7270/Q2902435
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50300894 (3-(4-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...) Show SMILES COc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O Show InChI InChI=1S/C17H14O3/c1-11-3-8-16-13(9-11)10-15(17(18)20-16)12-4-6-14(19-2)7-5-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in BTI cells				Bioorg Med Chem Lett 19: 5053-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.039 BindingDB Entry DOI: 10.7270/Q24T6JG9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50300894 (3-(4-methoxyphenyl)-6-methyl-2H-chromen-2-one | CH...) Show SMILES COc1ccc(cc1)-c1cc2cc(C)ccc2oc1=O Show InChI InChI=1S/C17H14O3/c1-11-3-8-16-13(9-11)10-15(17(18)20-16)12-4-6-14(19-2)7-5-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Facultad de Farmacia Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in BTI insect cells using p-tyramine substrate by fluorometric method				Bioorg Med Chem Lett 19: 3268-70 (2009) Article DOI: 10.1016/j.bmcl.2009.04.085 BindingDB Entry DOI: 10.7270/Q2M61KK9
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272829 ((+/-)-1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-(2-...) Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8| Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyra...				Bioorg Med Chem 18: 5063-70 (2010) Article DOI: 10.1016/j.bmc.2010.05.070 BindingDB Entry DOI: 10.7270/Q22F7PD1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272829 ((+/-)-1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-(2-...) Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8| Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-t...				J Med Chem 53: 6516-20 (2010) Article DOI: 10.1021/jm100120s BindingDB Entry DOI: 10.7270/Q26H4HNW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50272829 ((+/-)-1-(4-(2,4-difluorophenyl)thiazol-2-yl)-2-(2-...) Show SMILES CC1CCCCC1=NNc1nc(cs1)-c1ccc(F)cc1F |w:7.8| Show InChI InChI=1S/C16H17F2N3S/c1-10-4-2-3-5-14(10)20-21-16-19-15(9-22-16)12-7-6-11(17)8-13(12)18/h6-10H,2-5H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 51: 4874-80 (2008) Article DOI: 10.1021/jm800132g BindingDB Entry DOI: 10.7270/Q27P8Z5J
					More data for this Ligand-Target Pair

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