Compile Data Set for Download or QSAR
Found 47 Enz. Inhib. hit(s) with all data for entry = 50038583
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271142(6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271142(6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)
Affinity DataIC50: 0.270nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271140(9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.290nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271141(6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.570nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM9063(5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271141(6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.670nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271190(9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.820nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271192(6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)
Affinity DataIC50: 0.820nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271140(9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)
Affinity DataIC50: 0.880nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271192(6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)
Affinity DataIC50: 1.06nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50377921(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
Affinity DataIC50: 1.74nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271191(6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
Affinity DataIC50: 1.86nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271190(9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)
Affinity DataIC50: 2.16nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271189(9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)
Affinity DataIC50: 2.28nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271191(6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50377921(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
Affinity DataIC50: 4.04nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271189(9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)
Affinity DataIC50: 5.13nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 5.70nMAssay Description:Inhibition of rat cortex AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8987(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
Affinity DataIC50: 5.73nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8979(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
Affinity DataIC50: 6nMAssay Description:Inhibition of rat cortex AChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271190(9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)
Affinity DataIC50: 7.25nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271189(9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)
Affinity DataIC50: 8.06nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 8.12nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8987(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
Affinity DataIC50: 8.32nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 11.6nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271140(9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)
Affinity DataIC50: 12.3nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50377921(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
Affinity DataIC50: 12.4nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 19nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 24nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM9063(5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)
Affinity DataIC50: 25nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 43.9nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271142(6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)
Affinity DataIC50: 66.3nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271192(6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)
Affinity DataIC50: 72.7nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8979(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
Affinity DataIC50: 76nMAssay Description:Inhibition of rat serum BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271191(6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
Affinity DataIC50: 88.7nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 92nMAssay Description:Inhibition of rat serum BChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 130nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271141(6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)
Affinity DataIC50: 136nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 167nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8987(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
Affinity DataIC50: 196nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 205nMAssay Description:Inhibition of human erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
Affinity DataIC50: 223nMAssay Description:Inhibition of rat cortex AChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 930nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271226(2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyin...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)Cc2cc1OC
Show InChI InChI=1S/C24H31NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of bovine erythrocyte AChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM50271226(2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyin...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)Cc2cc1OC
Show InChI InChI=1S/C24H31NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair
TargetCarboxylic ester hydrolase(Rattus norvegicus (rat))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 7.14E+3nMAssay Description:Inhibition of rat serum BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL
LigandPNGBDBM8960((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Affinity DataIC50: 7.27E+3nMAssay Description:Inhibition of human serum BChE by Ellman's assayMore data for this Ligand-Target Pair