Compile Data Set for Download or QSAR
Found 52 Enz. Inhib. hit(s) with all data for entry = 50002289
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50172756(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Affinity DataIC50: 0.00820nMAssay Description:Inhibition of MAO-B (unknown origin)More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50172756(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Affinity DataIC50: 0.0115nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456663(CHEMBL4215298)
Show SMILES CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C17H19NO3/c1-3-10-18(2)11-4-5-12-20-15-8-6-14-7-9-17(19)21-16(14)13-15/h1,6-9,13H,4-5,10-12H2,2H3
Affinity DataIC50: 27nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50172756(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Affinity DataIC50: 194nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456653(CHEMBL4211297)
Show SMILES O=c1ccc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C23H23NO3/c1-2-14-24(18-19-8-4-3-5-9-19)15-6-7-16-26-21-12-10-20-11-13-23(25)27-22(20)17-21/h1,3-5,8-13,17H,6-7,14-16,18H2
Affinity DataIC50: 978nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456657(CHEMBL4210358)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C16H17NO3/c1-3-9-17(2)10-4-11-19-14-7-5-13-6-8-16(18)20-15(13)12-14/h1,5-8,12H,4,9-11H2,2H3
Affinity DataIC50: 1.09E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456656(CHEMBL4203107)
Show SMILES CN(CCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C15H15NO3/c1-3-8-16(2)9-10-18-13-6-4-12-5-7-15(17)19-14(12)11-13/h1,4-7,11H,8-10H2,2H3
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456662(CHEMBL4211814)
Show SMILES COc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C24H25NO4/c1-3-14-25(18-19-6-10-21(27-2)11-7-19)15-4-5-16-28-22-12-8-20-9-13-24(26)29-23(20)17-22/h1,6-13,17H,4-5,14-16,18H2,2H3
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456655(CHEMBL4207453)
Show SMILES Fc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C23H22FNO3/c1-2-12-25(17-18-6-5-7-20(24)15-18)13-3-4-14-27-21-10-8-19-9-11-23(26)28-22(19)16-21/h1,5-11,15-16H,3-4,12-14,17H2
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456654(CHEMBL4216262)
Show SMILES Cc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C24H25NO3/c1-3-14-25(18-20-8-6-19(2)7-9-20)15-4-5-16-27-22-12-10-21-11-13-24(26)28-23(21)17-22/h1,6-13,17H,4-5,14-16,18H2,2H3
Affinity DataIC50: 1.68E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456664(CHEMBL4202569)
Show SMILES COc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C24H25NO4/c1-3-13-25(18-19-7-6-8-21(16-19)27-2)14-4-5-15-28-22-11-9-20-10-12-24(26)29-23(20)17-22/h1,6-12,16-17H,4-5,13-15,18H2,2H3
Affinity DataIC50: 2.34E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456643(CHEMBL4214760)
Show SMILES Fc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C23H21F2NO3/c1-2-11-26(16-17-5-9-20(24)21(25)14-17)12-3-4-13-28-19-8-6-18-7-10-23(27)29-22(18)15-19/h1,5-10,14-15H,3-4,11-13,16H2
Affinity DataIC50: 2.37E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456663(CHEMBL4215298)
Show SMILES CN(CCCCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C17H19NO3/c1-3-10-18(2)11-4-5-12-20-15-8-6-14-7-9-17(19)21-16(14)13-15/h1,6-9,13H,4-5,10-12H2,2H3
Affinity DataIC50: 3.28E+3nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456661(CHEMBL4206927)
Show SMILES CC(C)c1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C26H29NO3/c1-4-15-27(19-21-7-9-22(10-8-21)20(2)3)16-5-6-17-29-24-13-11-23-12-14-26(28)30-25(23)18-24/h1,7-14,18,20H,5-6,15-17,19H2,2-3H3
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456650(CHEMBL4216146)
Show SMILES COc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C22H21NO4/c1-3-12-23(16-17-4-8-19(25-2)9-5-17)13-14-26-20-10-6-18-7-11-22(24)27-21(18)15-20/h1,4-11,15H,12-14,16H2,2H3
Affinity DataIC50: 3.51E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50172756(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Affinity DataIC50: 3.52E+3nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456646(CHEMBL4217159)
Show SMILES O=c1ccc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C22H21NO3/c1-2-13-23(17-18-7-4-3-5-8-18)14-6-15-25-20-11-9-19-10-12-22(24)26-21(19)16-20/h1,3-5,7-12,16H,6,13-15,17H2
Affinity DataIC50: 3.74E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456660(CHEMBL4216733)
Show SMILES Fc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H20FNO3/c1-2-11-24(16-17-5-3-6-19(23)14-17)12-4-13-26-20-9-7-18-8-10-22(25)27-21(18)15-20/h1,3,5-10,14-15H,4,11-13,16H2
Affinity DataIC50: 4.44E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456647(CHEMBL4208341)
Show SMILES COc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C23H23NO4/c1-3-12-24(17-18-6-4-7-20(15-18)26-2)13-5-14-27-21-10-8-19-9-11-23(25)28-22(19)16-21/h1,4,6-11,15-16H,5,12-14,17H2,2H3
Affinity DataIC50: 4.59E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456652(CHEMBL4211764)
Show SMILES Fc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C22H19F2NO3/c1-2-10-25(15-16-4-8-19(23)20(24)13-16)11-3-12-27-18-7-5-17-6-9-22(26)28-21(17)14-18/h1,4-9,13-14H,3,10-12,15H2
Affinity DataIC50: 4.86E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456649(CHEMBL4212732)
Show SMILES Fc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C21H18FNO3/c1-2-10-23(15-16-4-3-5-18(22)13-16)11-12-25-19-8-6-17-7-9-21(24)26-20(17)14-19/h1,3-9,13-14H,10-12,15H2
Affinity DataIC50: 5.53E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456658(CHEMBL4210766)
Show SMILES Cc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C22H21NO3/c1-3-12-23(16-18-6-4-17(2)5-7-18)13-14-25-20-10-8-19-9-11-22(24)26-21(19)15-20/h1,4-11,15H,12-14,16H2,2H3
Affinity DataIC50: 5.64E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456644(CHEMBL4213274)
Show SMILES COc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C23H23NO4/c1-3-13-24(17-18-5-9-20(26-2)10-6-18)14-4-15-27-21-11-7-19-8-12-23(25)28-22(19)16-21/h1,5-12,16H,4,13-15,17H2,2H3
Affinity DataIC50: 6.08E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456651(CHEMBL4211175)
Show SMILES CC(C)c1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C24H25NO3/c1-4-13-25(17-19-5-7-20(8-6-19)18(2)3)14-15-27-22-11-9-21-10-12-24(26)28-23(21)16-22/h1,5-12,16,18H,13-15,17H2,2-3H3
Affinity DataIC50: 6.96E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456659(CHEMBL4217683)
Show SMILES COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H21NO4/c1-3-11-23(16-17-5-4-6-19(14-17)25-2)12-13-26-20-9-7-18-8-10-22(24)27-21(18)15-20/h1,4-10,14-15H,11-13,16H2,2H3
Affinity DataIC50: 7.01E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456645(CHEMBL4208881)
Show SMILES Cc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C23H23NO3/c1-3-13-24(17-19-7-5-18(2)6-8-19)14-4-15-26-21-11-9-20-10-12-23(25)27-22(20)16-21/h1,5-12,16H,4,13-15,17H2,2H3
Affinity DataIC50: 7.38E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456666(CHEMBL4204002)
Show SMILES CC(C)c1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C25H27NO3/c1-4-14-26(18-20-6-8-21(9-7-20)19(2)3)15-5-16-28-23-12-10-22-11-13-25(27)29-24(22)17-23/h1,6-13,17,19H,5,14-16,18H2,2-3H3
Affinity DataIC50: 7.58E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456665(CHEMBL4205890)
Show SMILES O=c1ccc2ccc(OCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C21H19NO3/c1-2-12-22(16-17-6-4-3-5-7-17)13-14-24-19-10-8-18-9-11-21(23)25-20(18)15-19/h1,3-11,15H,12-14,16H2
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456648(CHEMBL4205441)
Show SMILES Fc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C21H17F2NO3/c1-2-9-24(14-15-3-7-18(22)19(23)12-15)10-11-26-17-6-4-16-5-8-21(25)27-20(16)13-17/h1,3-8,12-13H,9-11,14H2
Affinity DataIC50: 9.63E+3nMAssay Description:Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456647(CHEMBL4208341)
Show SMILES COc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C23H23NO4/c1-3-12-24(17-18-6-4-7-20(15-18)26-2)13-5-14-27-21-10-8-19-9-11-23(25)28-22(19)16-21/h1,4,6-11,15-16H,5,12-14,17H2,2H3
Affinity DataIC50: 2.27E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456660(CHEMBL4216733)
Show SMILES Fc1cccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H20FNO3/c1-2-11-24(16-17-5-3-6-19(23)14-17)12-4-13-26-20-9-7-18-8-10-22(25)27-21(18)15-20/h1,3,5-10,14-15H,4,11-13,16H2
Affinity DataIC50: 2.93E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456661(CHEMBL4206927)
Show SMILES CC(C)c1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C26H29NO3/c1-4-15-27(19-21-7-9-22(10-8-21)20(2)3)16-5-6-17-29-24-13-11-23-12-14-26(28)30-25(23)18-24/h1,7-14,18,20H,5-6,15-17,19H2,2-3H3
Affinity DataIC50: 3.54E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456657(CHEMBL4210358)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C16H17NO3/c1-3-9-17(2)10-4-11-19-14-7-5-13-6-8-16(18)20-15(13)12-14/h1,5-8,12H,4,9-11H2,2H3
Affinity DataIC50: 3.69E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456646(CHEMBL4217159)
Show SMILES O=c1ccc2ccc(OCCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C22H21NO3/c1-2-13-23(17-18-7-4-3-5-8-18)14-6-15-25-20-11-9-19-10-12-22(24)26-21(19)16-20/h1,3-5,7-12,16H,6,13-15,17H2
Affinity DataIC50: 3.86E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456648(CHEMBL4205441)
Show SMILES Fc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C21H17F2NO3/c1-2-9-24(14-15-3-7-18(22)19(23)12-15)10-11-26-17-6-4-16-5-8-21(25)27-20(16)13-17/h1,3-8,12-13H,9-11,14H2
Affinity DataIC50: 4.08E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456652(CHEMBL4211764)
Show SMILES Fc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C22H19F2NO3/c1-2-10-25(15-16-4-8-19(23)20(24)13-16)11-3-12-27-18-7-5-17-6-9-22(26)28-21(17)14-18/h1,4-9,13-14H,3,10-12,15H2
Affinity DataIC50: 4.92E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456649(CHEMBL4212732)
Show SMILES Fc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C21H18FNO3/c1-2-10-23(15-16-4-3-5-18(22)13-16)11-12-25-19-8-6-17-7-9-21(24)26-20(17)14-19/h1,3-9,13-14H,10-12,15H2
Affinity DataIC50: 5.33E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456662(CHEMBL4211814)
Show SMILES COc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C24H25NO4/c1-3-14-25(18-19-6-10-21(27-2)11-7-19)15-4-5-16-28-22-12-8-20-9-13-24(26)29-23(20)17-22/h1,6-13,17H,4-5,14-16,18H2,2H3
Affinity DataIC50: 5.45E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456650(CHEMBL4216146)
Show SMILES COc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C22H21NO4/c1-3-12-23(16-17-4-8-19(25-2)9-5-17)13-14-26-20-10-6-18-7-11-22(24)27-21(18)15-20/h1,4-11,15H,12-14,16H2,2H3
Affinity DataIC50: 5.51E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456658(CHEMBL4210766)
Show SMILES Cc1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C22H21NO3/c1-3-12-23(16-18-6-4-17(2)5-7-18)13-14-25-20-10-8-19-9-11-22(24)26-21(19)15-20/h1,4-11,15H,12-14,16H2,2H3
Affinity DataIC50: 5.64E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456644(CHEMBL4213274)
Show SMILES COc1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C23H23NO4/c1-3-13-24(17-18-5-9-20(26-2)10-6-18)14-4-15-27-21-11-7-19-8-12-23(25)28-22(19)16-21/h1,5-12,16H,4,13-15,17H2,2H3
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456655(CHEMBL4207453)
Show SMILES Fc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C23H22FNO3/c1-2-12-25(17-18-6-5-7-20(24)15-18)13-3-4-14-27-21-10-8-19-9-11-23(26)28-22(19)16-21/h1,5-11,15-16H,3-4,12-14,17H2
Affinity DataIC50: 6.92E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456656(CHEMBL4203107)
Show SMILES CN(CCOc1ccc2ccc(=O)oc2c1)CC#C
Show InChI InChI=1S/C15H15NO3/c1-3-8-16(2)9-10-18-13-6-4-12-5-7-15(17)19-14(12)11-13/h1,4-7,11H,8-10H2,2H3
Affinity DataIC50: 6.99E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456651(CHEMBL4211175)
Show SMILES CC(C)c1ccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C24H25NO3/c1-4-13-25(17-19-5-7-20(8-6-19)18(2)3)14-15-27-22-11-9-21-10-12-24(26)28-23(21)16-22/h1,5-12,16,18H,13-15,17H2,2-3H3
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456659(CHEMBL4217683)
Show SMILES COc1cccc(CN(CCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C22H21NO4/c1-3-11-23(16-17-5-4-6-19(14-17)25-2)12-13-26-20-9-7-18-8-10-22(24)27-21(18)15-20/h1,4-10,14-15H,11-13,16H2,2H3
Affinity DataIC50: 7.21E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456666(CHEMBL4204002)
Show SMILES CC(C)c1ccc(CN(CCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1
Show InChI InChI=1S/C25H27NO3/c1-4-14-26(18-20-6-8-21(9-7-20)19(2)3)15-5-16-28-23-12-10-22-11-13-25(27)29-24(22)17-23/h1,6-13,17,19H,5,14-16,18H2,2-3H3
Affinity DataIC50: 7.74E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456664(CHEMBL4202569)
Show SMILES COc1cccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)c1
Show InChI InChI=1S/C24H25NO4/c1-3-13-25(18-19-7-6-8-21(16-19)27-2)14-4-5-15-28-22-11-9-20-10-12-24(26)29-23(20)17-22/h1,6-12,16-17H,4-5,13-15,18H2,2H3
Affinity DataIC50: 7.86E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456653(CHEMBL4211297)
Show SMILES O=c1ccc2ccc(OCCCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C23H23NO3/c1-2-14-24(18-19-8-4-3-5-9-19)15-6-7-16-26-21-12-10-20-11-13-23(25)27-22(20)17-21/h1,3-5,8-13,17H,6-7,14-16,18H2
Affinity DataIC50: 8.94E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456665(CHEMBL4205890)
Show SMILES O=c1ccc2ccc(OCCN(CC#C)Cc3ccccc3)cc2o1
Show InChI InChI=1S/C21H19NO3/c1-2-12-22(16-17-6-4-3-5-7-17)13-14-24-19-10-8-18-9-11-21(23)25-20(18)15-19/h1,3-11,15H,12-14,16H2
Affinity DataIC50: 8.95E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50456643(CHEMBL4214760)
Show SMILES Fc1ccc(CN(CCCCOc2ccc3ccc(=O)oc3c2)CC#C)cc1F
Show InChI InChI=1S/C23H21F2NO3/c1-2-11-26(16-17-5-9-20(24)21(25)14-17)12-3-4-13-28-19-8-6-18-7-10-23(27)29-22(18)15-19/h1,5-10,14-15H,3-4,11-13,16H2
Affinity DataIC50: 9.32E+4nMAssay Description:Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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