Compile Data Set for Download or QSAR
Found 56 Enz. Inhib. hit(s) with all data for entry = 50014707
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579331(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H26FN3O3S/c26-21-11-9-20(10-12-21)19-28-15-14-27-16-18-32-25-8-4-7-24-23(25)13-17-29(24)33(30,31)22-5-2-1-3-6-22/h1-13,17,27-28H,14-16,18-19H2
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579329(CHEMBL4863218)
Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H26ClN3O3S/c26-21-11-9-20(10-12-21)19-28-15-14-27-16-18-32-25-8-4-7-24-23(25)13-17-29(24)33(30,31)22-5-2-1-3-6-22/h1-13,17,27-28H,14-16,18-19H2
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579335(CHEMBL4854972)
Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H26F3N3O3S/c27-26(28,29)21-7-4-6-20(18-21)19-31-14-13-30-15-17-35-25-11-5-10-24-23(25)12-16-32(24)36(33,34)22-8-2-1-3-9-22/h1-12,16,18,30-31H,13-15,17,19H2
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579327(CHEMBL4847532)
Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H26ClN3O3S/c26-21-7-4-6-20(18-21)19-28-14-13-27-15-17-32-25-11-5-10-24-23(25)12-16-29(24)33(30,31)22-8-2-1-3-9-22/h1-12,16,18,27-28H,13-15,17,19H2
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579334(CHEMBL4864206)
Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O3S/c1-21-7-5-8-22(19-21)20-28-15-14-27-16-18-32-26-12-6-11-25-24(26)13-17-29(25)33(30,31)23-9-3-2-4-10-23/h2-13,17,19,27-28H,14-16,18,20H2,1H3
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579332(CHEMBL4851595)
Show SMILES [O-][N+](=O)c1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O5S/c30-29(31)21-11-9-20(10-12-21)19-27-15-14-26-16-18-34-25-8-4-7-24-23(25)13-17-28(24)35(32,33)22-5-2-1-3-6-22/h1-13,17,26-27H,14-16,18-19H2
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579328(CHEMBL4878383)
Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H26ClN3O3S/c26-23-10-5-4-7-20(23)19-28-15-14-27-16-18-32-25-12-6-11-24-22(25)13-17-29(24)33(30,31)21-8-2-1-3-9-21/h1-13,17,27-28H,14-16,18-19H2
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579323(CHEMBL4878361)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C25H27N3O3S/c29-32(30,22-10-5-2-6-11-22)28-18-14-23-24(28)12-7-13-25(23)31-19-17-26-15-16-27-20-21-8-3-1-4-9-21/h1-14,18,26-27H,15-17,19-20H2
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579320(CHEMBL4874513)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C33H36N4O3S/c38-41(39,25-11-2-1-3-12-25)37-23-19-28-31(37)17-10-18-32(28)40-24-22-34-20-8-9-21-35-33-26-13-4-6-15-29(26)36-30-16-7-5-14-27(30)33/h1-4,6,10-13,15,17-19,23,34H,5,7-9,14,16,20-22,24H2,(H,35,36)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579333(CHEMBL4868597)
Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4S/c1-32-22-12-10-21(11-13-22)20-28-16-15-27-17-19-33-26-9-5-8-25-24(26)14-18-29(25)34(30,31)23-6-3-2-4-7-23/h2-14,18,27-28H,15-17,19-20H2,1H3
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579321(CHEMBL4848231)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C34H38N4O3S/c39-42(40,26-12-3-1-4-13-26)38-24-20-29-32(38)18-11-19-33(29)41-25-23-35-21-9-2-10-22-36-34-27-14-5-7-16-30(27)37-31-17-8-6-15-28(31)34/h1,3-5,7,11-14,16,18-20,24,35H,2,6,8-10,15,17,21-23,25H2,(H,36,37)
Affinity DataKi:  7nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579324(CHEMBL4866788)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C26H29N3O3S/c30-33(31,23-11-5-2-6-12-23)29-19-15-24-25(29)13-7-14-26(24)32-20-18-27-16-8-17-28-21-22-9-3-1-4-10-22/h1-7,9-15,19,27-28H,8,16-18,20-21H2
Affinity DataKi:  8nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579325(CHEMBL4850488)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C27H31N3O3S/c31-34(32,24-12-5-2-6-13-24)30-20-16-25-26(30)14-9-15-27(25)33-21-19-28-17-7-8-18-29-22-23-10-3-1-4-11-23/h1-6,9-16,20,28-29H,7-8,17-19,21-22H2
Affinity DataKi:  8nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579322(CHEMBL4877482)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C35H40N4O3S/c40-43(41,27-13-4-3-5-14-27)39-25-21-30-33(39)19-12-20-34(30)42-26-24-36-22-10-1-2-11-23-37-35-28-15-6-8-17-31(28)38-32-18-9-7-16-29(32)35/h3-6,8,12-15,17,19-21,25,36H,1-2,7,9-11,16,18,22-24,26H2,(H,37,38)
Affinity DataKi:  8.60nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579319(CHEMBL4850051)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C32H34N4O3S/c37-40(38,24-10-2-1-3-11-24)36-22-18-27-30(36)16-8-17-31(27)39-23-21-33-19-9-20-34-32-25-12-4-6-14-28(25)35-29-15-7-5-13-26(29)32/h1-4,6,8,10-12,14,16-18,22,33H,5,7,9,13,15,19-21,23H2,(H,34,35)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579330(CHEMBL4847373)
Show SMILES Clc1cc(Cl)cc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H25Cl2N3O3S/c26-20-15-19(16-21(27)17-20)18-29-11-10-28-12-14-33-25-8-4-7-24-23(25)9-13-30(24)34(31,32)22-5-2-1-3-6-22/h1-9,13,15-17,28-29H,10-12,14,18H2
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579326(CHEMBL4871964)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C28H33N3O3S/c32-35(33,25-13-6-2-7-14-25)31-21-17-26-27(31)15-10-16-28(26)34-22-20-29-18-8-3-9-19-30-23-24-11-4-1-5-12-24/h1-2,4-7,10-17,21,29-30H,3,8-9,18-20,22-23H2
Affinity DataKi:  12nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579318(CHEMBL4850546)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C31H32N4O3S/c36-39(37,23-9-2-1-3-10-23)35-21-17-26-29(35)15-8-16-30(26)38-22-20-32-18-19-33-31-24-11-4-6-13-27(24)34-28-14-7-5-12-25(28)31/h1-4,6,8-11,13,15-17,21,32H,5,7,12,14,18-20,22H2,(H,33,34)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579336(CHEMBL4845823)
Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H34N4O5S/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3
Affinity DataKi:  15nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579321(CHEMBL4848231)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C34H38N4O3S/c39-42(40,26-12-3-1-4-13-26)38-24-20-29-32(38)18-11-19-33(29)41-25-23-35-21-9-2-10-22-36-34-27-14-5-7-16-30(27)37-31-17-8-6-15-28(31)34/h1,3-5,7,11-14,16,18-20,24,35H,2,6,8-10,15,17,21-23,25H2,(H,36,37)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579322(CHEMBL4877482)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C35H40N4O3S/c40-43(41,27-13-4-3-5-14-27)39-25-21-30-33(39)19-12-20-34(30)42-26-24-36-22-10-1-2-11-23-37-35-28-15-6-8-17-31(28)38-32-18-9-7-16-29(32)35/h3-6,8,12-15,17,19-21,25,36H,1-2,7,9-11,16,18,22-24,26H2,(H,37,38)
Affinity DataIC50: 4.10nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579318(CHEMBL4850546)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C31H32N4O3S/c36-39(37,23-9-2-1-3-10-23)35-21-17-26-29(35)15-8-16-30(26)38-22-20-32-18-19-33-31-24-11-4-6-13-27(24)34-28-14-7-5-12-25(28)31/h1-4,6,8-11,13,15-17,21,32H,5,7,12,14,18-20,22H2,(H,33,34)
Affinity DataIC50: 8.40nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579320(CHEMBL4874513)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C33H36N4O3S/c38-41(39,25-11-2-1-3-12-25)37-23-19-28-31(37)17-10-18-32(28)40-24-22-34-20-8-9-21-35-33-26-13-4-6-15-29(26)36-30-16-7-5-14-27(30)33/h1-4,6,10-13,15,17-19,23,34H,5,7-9,14,16,20-22,24H2,(H,35,36)
Affinity DataIC50: 9.40nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

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: 11nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

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: 15nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579319(CHEMBL4850051)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C32H34N4O3S/c37-40(38,24-10-2-1-3-11-24)36-22-18-27-30(36)16-8-17-31(27)39-23-21-33-19-9-20-34-32-25-12-4-6-14-28(25)35-29-15-7-5-13-26(29)32/h1-4,6,8,10-12,14,16-18,22,33H,5,7,9,13,15,19-21,23H2,(H,34,35)
Affinity DataIC50: 19nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579319(CHEMBL4850051)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C32H34N4O3S/c37-40(38,24-10-2-1-3-11-24)36-22-18-27-30(36)16-8-17-31(27)39-23-21-33-19-9-20-34-32-25-12-4-6-14-28(25)35-29-15-7-5-13-26(29)32/h1-4,6,8,10-12,14,16-18,22,33H,5,7,9,13,15,19-21,23H2,(H,34,35)
Affinity DataIC50: 21nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

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: 23nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579318(CHEMBL4850546)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C31H32N4O3S/c36-39(37,23-9-2-1-3-10-23)35-21-17-26-29(35)15-8-16-30(26)38-22-20-32-18-19-33-31-24-11-4-6-13-27(24)34-28-14-7-5-12-25(28)31/h1-4,6,8-11,13,15-17,21,32H,5,7,12,14,18-20,22H2,(H,33,34)
Affinity DataIC50: 24nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579320(CHEMBL4874513)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C33H36N4O3S/c38-41(39,25-11-2-1-3-12-25)37-23-19-28-31(37)17-10-18-32(28)40-24-22-34-20-8-9-21-35-33-26-13-4-6-15-29(26)36-30-16-7-5-14-27(30)33/h1-4,6,10-13,15,17-19,23,34H,5,7-9,14,16,20-22,24H2,(H,35,36)
Affinity DataIC50: 58nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579322(CHEMBL4877482)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C35H40N4O3S/c40-43(41,27-13-4-3-5-14-27)39-25-21-30-33(39)19-12-20-34(30)42-26-24-36-22-10-1-2-11-23-37-35-28-15-6-8-17-31(28)38-32-18-9-7-16-29(32)35/h3-6,8,12-15,17,19-21,25,36H,1-2,7,9-11,16,18,22-24,26H2,(H,37,38)
Affinity DataIC50: 72nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579321(CHEMBL4848231)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C34H38N4O3S/c39-42(40,26-12-3-1-4-13-26)38-24-20-29-32(38)18-11-19-33(29)41-25-23-35-21-9-2-10-22-36-34-27-14-5-7-16-30(27)37-31-17-8-6-15-28(31)34/h1,3-5,7,11-14,16,18-20,24,35H,2,6,8-10,15,17,21-23,25H2,(H,36,37)
Affinity DataIC50: 303nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579326(CHEMBL4871964)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C28H33N3O3S/c32-35(33,25-13-6-2-7-14-25)31-21-17-26-27(31)15-10-16-28(26)34-22-20-29-18-8-3-9-19-30-23-24-11-4-1-5-12-24/h1-2,4-7,10-17,21,29-30H,3,8-9,18-20,22-23H2
Affinity DataIC50: 394nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579336(CHEMBL4845823)
Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H34N4O5S/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3
Affinity DataIC50: 455nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579323(CHEMBL4878361)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C25H27N3O3S/c29-32(30,22-10-5-2-6-11-22)28-18-14-23-24(28)12-7-13-25(23)31-19-17-26-15-16-27-20-21-8-3-1-4-9-21/h1-14,18,26-27H,15-17,19-20H2
Affinity DataIC50: 528nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579328(CHEMBL4878383)
Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H26ClN3O3S/c26-23-10-5-4-7-20(23)19-28-15-14-27-16-18-32-25-12-6-11-24-22(25)13-17-29(24)33(30,31)21-8-2-1-3-9-21/h1-13,17,27-28H,14-16,18-19H2
Affinity DataIC50: 586nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579324(CHEMBL4866788)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C26H29N3O3S/c30-33(31,23-11-5-2-6-12-23)29-19-15-24-25(29)13-7-14-26(24)32-20-18-27-16-8-17-28-21-22-9-3-1-4-10-22/h1-7,9-15,19,27-28H,8,16-18,20-21H2
Affinity DataIC50: 701nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579325(CHEMBL4850488)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc12
Show InChI InChI=1S/C27H31N3O3S/c31-34(32,24-12-5-2-6-13-24)30-20-16-25-26(30)14-9-15-27(25)33-21-19-28-17-7-8-18-29-22-23-10-3-1-4-11-23/h1-6,9-16,20,28-29H,7-8,17-19,21-22H2
Affinity DataIC50: 887nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579334(CHEMBL4864206)
Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O3S/c1-21-7-5-8-22(19-21)20-28-15-14-27-16-18-32-26-12-6-11-25-24(26)13-17-29(25)33(30,31)23-9-3-2-4-10-23/h2-13,17,19,27-28H,14-16,18,20H2,1H3
Affinity DataIC50: 1.07E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579327(CHEMBL4847532)
Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H26ClN3O3S/c26-21-7-4-6-20(18-21)19-28-14-13-27-15-17-32-25-11-5-10-24-23(25)12-16-29(24)33(30,31)22-8-2-1-3-9-22/h1-12,16,18,27-28H,13-15,17,19H2
Affinity DataIC50: 1.08E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579318(CHEMBL4850546)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
Show InChI InChI=1S/C31H32N4O3S/c36-39(37,23-9-2-1-3-10-23)35-21-17-26-29(35)15-8-16-30(26)38-22-20-32-18-19-33-31-24-11-4-6-13-27(24)34-28-14-7-5-12-25(28)31/h1-4,6,8-11,13,15-17,21,32H,5,7,12,14,18-20,22H2,(H,33,34)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of HFIP-pretreated human recombinant amyloid beta (1 to 42) self aggregation incubated up to 48 hrs under shaking condition and measured e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579331(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H26FN3O3S/c26-21-11-9-20(10-12-21)19-28-15-14-27-16-18-32-25-8-4-7-24-23(25)13-17-29(24)33(30,31)22-5-2-1-3-6-22/h1-13,17,27-28H,14-16,18-19H2
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579336(CHEMBL4845823)
Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H34N4O5S/c1-3-32(2)29(34)38-24-10-7-9-23(21-24)22-31-17-16-30-18-20-37-28-14-8-13-27-26(28)15-19-33(27)39(35,36)25-11-5-4-6-12-25/h4-15,19,21,30-31H,3,16-18,20,22H2,1-2H3
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of HFIP-pretreated human recombinant amyloid beta (1 to 42) self aggregation incubated up to 48 hrs under shaking condition and measured e...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579330(CHEMBL4847373)
Show SMILES Clc1cc(Cl)cc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H25Cl2N3O3S/c26-20-15-19(16-21(27)17-20)18-29-11-10-28-12-14-33-25-8-4-7-24-23(25)9-13-30(24)34(31,32)22-5-2-1-3-6-22/h1-9,13,15-17,28-29H,10-12,14,18H2
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

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: 1.83E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579329(CHEMBL4863218)
Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H26ClN3O3S/c26-21-11-9-20(10-12-21)19-28-15-14-27-16-18-32-25-8-4-7-24-23(25)13-17-29(24)33(30,31)22-5-2-1-3-6-22/h1-13,17,27-28H,14-16,18-19H2
Affinity DataIC50: 1.99E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579333(CHEMBL4868597)
Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29N3O4S/c1-32-22-12-10-21(11-13-22)20-28-16-15-27-17-19-33-26-9-5-8-25-24(26)14-18-29(25)34(30,31)23-6-3-2-4-7-23/h2-14,18,27-28H,15-17,19-20H2,1H3
Affinity DataIC50: 2.07E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50579335(CHEMBL4854972)
Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H26F3N3O3S/c27-26(28,29)21-7-4-6-20(18-21)19-31-14-13-30-15-17-35-25-11-5-10-24-23(25)12-16-32(24)36(33,34)22-8-2-1-3-9-22/h1-12,16,18,30-31H,13-15,17,19H2
Affinity DataIC50: 2.12E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
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