Compile Data Set for Download or QSAR
Found 51 Enz. Inhib. hit(s) with all data for entry = 50046826
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133473(CHEMBL3632994)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H46ClN3O3/c1-22-23(2)33-26(24(3)32(22)40)17-18-35(4,42-33)34(41)38-20-12-8-6-5-7-11-19-37-31-27-13-9-10-14-29(27)39-30-21-25(36)15-16-28(30)31/h15-16,21,40H,5-14,17-20H2,1-4H3,(H,37,39)(H,38,41)
Affinity DataKi:  50nMAssay Description:Competitive inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

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: 20nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133449(CHEMBL3632988)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C29H34ClN3O3/c1-16-17(2)27-20(18(3)26(16)34)11-12-29(4,36-27)28(35)32-14-13-31-25-21-7-5-6-8-23(21)33-24-15-19(30)9-10-22(24)25/h9-10,15,34H,5-8,11-14H2,1-4H3,(H,31,33)(H,32,35)
Affinity DataIC50: 20nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073117(CHEMBL3410951)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
Affinity DataIC50: 60nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133450(CHEMBL3632989)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H36ClN3O3/c1-17-18(2)28-21(19(3)27(17)35)12-13-30(4,37-28)29(36)33-15-7-14-32-26-22-8-5-6-9-24(22)34-25-16-20(31)10-11-23(25)26/h10-11,16,35H,5-9,12-15H2,1-4H3,(H,32,34)(H,33,36)
Affinity DataIC50: 80nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073116(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
Affinity DataIC50: 80nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

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: 80nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133472(CHEMBL3632993)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H44ClN3O3/c1-21-22(2)32-25(23(3)31(21)39)16-17-34(4,41-32)33(40)37-19-11-7-5-6-10-18-36-30-26-12-8-9-13-28(26)38-29-20-24(35)14-15-27(29)30/h14-15,20,39H,5-13,16-19H2,1-4H3,(H,36,38)(H,37,40)
Affinity DataIC50: 80nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133421(CHEMBL3632987)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N3O3/c1-18-19(2)28-21(20(3)27(18)34)14-15-30(4,36-28)29(35)32-17-9-16-31-26-22-10-5-7-12-24(22)33-25-13-8-6-11-23(25)26/h5,7,10,12,34H,6,8-9,11,13-17H2,1-4H3,(H,31,33)(H,32,35)
Affinity DataIC50: 80nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133473(CHEMBL3632994)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H46ClN3O3/c1-22-23(2)33-26(24(3)32(22)40)17-18-35(4,42-33)34(41)38-20-12-8-6-5-7-11-19-37-31-27-13-9-10-14-29(27)39-30-21-25(36)15-16-28(30)31/h15-16,21,40H,5-14,17-20H2,1-4H3,(H,37,39)(H,38,41)
Affinity DataIC50: 80nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133469(CHEMBL3632990)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H38ClN3O3/c1-18-19(2)29-22(20(3)28(18)36)13-14-31(4,38-29)30(37)34-16-8-7-15-33-27-23-9-5-6-10-25(23)35-26-17-21(32)11-12-24(26)27/h11-12,17,36H,5-10,13-16H2,1-4H3,(H,33,35)(H,34,37)
Affinity DataIC50: 90nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133471(CHEMBL3632992)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H42ClN3O3/c1-20-21(2)31-24(22(3)30(20)38)15-16-33(4,40-31)32(39)36-18-10-6-5-9-17-35-29-25-11-7-8-12-27(25)37-28-19-23(34)13-14-26(28)29/h13-14,19,38H,5-12,15-18H2,1-4H3,(H,35,37)(H,36,39)
Affinity DataIC50: 100nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133470(CHEMBL3632991)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C32H40ClN3O3/c1-19-20(2)30-23(21(3)29(19)37)14-15-32(4,39-30)31(38)35-17-9-5-8-16-34-28-24-10-6-7-11-26(24)36-27-18-22(33)12-13-25(27)28/h12-13,18,37H,5-11,14-17H2,1-4H3,(H,34,36)(H,35,38)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133470(CHEMBL3632991)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C32H40ClN3O3/c1-19-20(2)30-23(21(3)29(19)37)14-15-32(4,39-30)31(38)35-17-9-5-8-16-34-28-24-10-6-7-11-26(24)36-27-18-22(33)12-13-25(27)28/h12-13,18,37H,5-11,14-17H2,1-4H3,(H,34,36)(H,35,38)
Affinity DataIC50: 130nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073113(CHEMBL3410955)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)
Affinity DataIC50: 130nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133469(CHEMBL3632990)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H38ClN3O3/c1-18-19(2)29-22(20(3)28(18)36)13-14-31(4,38-29)30(37)34-16-8-7-15-33-27-23-9-5-6-10-25(23)35-26-17-21(32)11-12-24(26)27/h11-12,17,36H,5-10,13-16H2,1-4H3,(H,33,35)(H,34,37)
Affinity DataIC50: 150nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073112(CHEMBL3410956)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)
Affinity DataIC50: 160nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073114(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
Affinity DataIC50: 190nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133449(CHEMBL3632988)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C29H34ClN3O3/c1-16-17(2)27-20(18(3)26(16)34)11-12-29(4,36-27)28(35)32-14-13-31-25-21-7-5-6-8-23(21)33-24-15-19(30)9-10-22(24)25/h9-10,15,34H,5-8,11-14H2,1-4H3,(H,31,33)(H,32,35)
Affinity DataIC50: 210nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133421(CHEMBL3632987)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N3O3/c1-18-19(2)28-21(20(3)27(18)34)14-15-30(4,36-28)29(35)32-17-9-16-31-26-22-10-5-7-12-24(22)33-25-13-8-6-11-23(25)26/h5,7,10,12,34H,6,8-9,11,13-17H2,1-4H3,(H,31,33)(H,32,35)
Affinity DataIC50: 260nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133412(CHEMBL3632626)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C32H41N3O4/c1-19-20(2)30-23(21(3)29(19)36)14-15-32(4,39-30)31(37)34-17-9-8-16-33-28-24-10-6-7-11-26(24)35-27-13-12-22(38-5)18-25(27)28/h12-13,18,36H,6-11,14-17H2,1-5H3,(H,33,35)(H,34,37)
Affinity DataIC50: 290nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

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: 320nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073114(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
Affinity DataIC50: 360nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133471(CHEMBL3632992)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H42ClN3O3/c1-20-21(2)31-24(22(3)30(20)38)15-16-33(4,40-31)32(39)36-18-10-6-5-9-17-35-29-25-11-7-8-12-27(25)37-28-19-23(34)13-14-26(28)29/h13-14,19,38H,5-12,15-18H2,1-4H3,(H,35,37)(H,36,39)
Affinity DataIC50: 400nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133413(CHEMBL3632848)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C33H43N3O4/c1-20-21(2)31-24(22(3)30(20)37)15-16-33(4,40-31)32(38)35-18-10-6-9-17-34-29-25-11-7-8-12-27(25)36-28-14-13-23(39-5)19-26(28)29/h13-14,19,37H,6-12,15-18H2,1-5H3,(H,34,36)(H,35,38)
Affinity DataIC50: 400nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133473(CHEMBL3632994)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H46ClN3O3/c1-22-23(2)33-26(24(3)32(22)40)17-18-35(4,42-33)34(41)38-20-12-8-6-5-7-11-19-37-31-27-13-9-10-14-29(27)39-30-21-25(36)15-16-28(30)31/h15-16,21,40H,5-14,17-20H2,1-4H3,(H,37,39)(H,38,41)
Affinity DataIC50: 540nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073115(CHEMBL3410953)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
Affinity DataIC50: 560nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073115(CHEMBL3410953)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
Affinity DataIC50: 620nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133411(CHEMBL3632847)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C31H39N3O4/c1-18-19(2)29-22(20(3)28(18)35)13-14-31(4,38-29)30(36)33-16-8-15-32-27-23-9-6-7-10-25(23)34-26-12-11-21(37-5)17-24(26)27/h11-12,17,35H,6-10,13-16H2,1-5H3,(H,32,34)(H,33,36)
Affinity DataIC50: 620nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133414(CHEMBL3632849)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C34H45N3O4/c1-21-22(2)32-25(23(3)31(21)38)16-17-34(4,41-32)33(39)36-19-11-7-6-10-18-35-30-26-12-8-9-13-28(26)37-29-15-14-24(40-5)20-27(29)30/h14-15,20,38H,6-13,16-19H2,1-5H3,(H,35,37)(H,36,39)
Affinity DataIC50: 690nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073112(CHEMBL3410956)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)
Affinity DataIC50: 690nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073113(CHEMBL3410955)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)
Affinity DataIC50: 690nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133415(CHEMBL3632850)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C35H47N3O4/c1-22-23(2)33-26(24(3)32(22)39)17-18-35(4,42-33)34(40)37-20-12-8-6-7-11-19-36-31-27-13-9-10-14-29(27)38-30-16-15-25(41-5)21-28(30)31/h15-16,21,39H,6-14,17-20H2,1-5H3,(H,36,38)(H,37,40)
Affinity DataIC50: 700nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133472(CHEMBL3632993)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H44ClN3O3/c1-21-22(2)32-25(23(3)31(21)39)16-17-34(4,41-32)33(40)37-19-11-7-5-6-10-18-36-30-26-12-8-9-13-28(26)38-29-20-24(35)14-15-27(29)30/h14-15,20,39H,5-13,16-19H2,1-4H3,(H,36,38)(H,37,40)
Affinity DataIC50: 700nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133450(CHEMBL3632989)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H36ClN3O3/c1-17-18(2)28-21(19(3)27(17)35)12-13-30(4,37-28)29(36)33-15-7-14-32-26-22-8-5-6-9-24(22)34-25-16-20(31)10-11-23(25)26/h10-11,16,35H,5-9,12-15H2,1-4H3,(H,32,34)(H,33,36)
Affinity DataIC50: 770nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073116(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
Affinity DataIC50: 950nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133410(CHEMBL3632846)
Show SMILES COc1ccc2nc3CCCCc3c(NCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C30H37N3O4/c1-17-18(2)28-21(19(3)27(17)34)12-13-30(4,37-28)29(35)32-15-14-31-26-22-8-6-7-9-24(22)33-25-11-10-20(36-5)16-23(25)26/h10-11,16,34H,6-9,12-15H2,1-5H3,(H,31,33)(H,32,35)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133416(CHEMBL3632851)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C36H49N3O4/c1-23-24(2)34-27(25(3)33(23)40)18-19-36(4,43-34)35(41)38-21-13-9-7-6-8-12-20-37-32-28-14-10-11-15-30(28)39-31-17-16-26(42-5)22-29(31)32/h16-17,22,40H,6-15,18-21H2,1-5H3,(H,37,39)(H,38,41)
Affinity DataIC50: 1.53E+3nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133411(CHEMBL3632847)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C31H39N3O4/c1-18-19(2)29-22(20(3)28(18)35)13-14-31(4,38-29)30(36)33-16-8-15-32-27-23-9-6-7-10-25(23)34-26-12-11-21(37-5)17-24(26)27/h11-12,17,35H,6-10,13-16H2,1-5H3,(H,32,34)(H,33,36)
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

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: 1.78E+3nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133416(CHEMBL3632851)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C36H49N3O4/c1-23-24(2)34-27(25(3)33(23)40)18-19-36(4,43-34)35(41)38-21-13-9-7-6-8-12-20-37-32-28-14-10-11-15-30(28)39-31-17-16-26(42-5)22-29(31)32/h16-17,22,40H,6-15,18-21H2,1-5H3,(H,37,39)(H,38,41)
Affinity DataIC50: 3.48E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133410(CHEMBL3632846)
Show SMILES COc1ccc2nc3CCCCc3c(NCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C30H37N3O4/c1-17-18(2)28-21(19(3)27(17)34)12-13-30(4,37-28)29(35)32-15-14-31-26-22-8-6-7-9-24(22)33-25-11-10-20(36-5)16-23(25)26/h10-11,16,34H,6-9,12-15H2,1-5H3,(H,31,33)(H,32,35)
Affinity DataIC50: 4.36E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133414(CHEMBL3632849)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C34H45N3O4/c1-21-22(2)32-25(23(3)31(21)38)16-17-34(4,41-32)33(39)36-19-11-7-6-10-18-35-30-26-12-8-9-13-28(26)37-29-15-14-24(40-5)20-27(29)30/h14-15,20,38H,6-13,16-19H2,1-5H3,(H,35,37)(H,36,39)
Affinity DataIC50: 6.61E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133415(CHEMBL3632850)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C35H47N3O4/c1-22-23(2)33-26(24(3)32(22)39)17-18-35(4,42-33)34(40)37-20-12-8-6-7-11-19-36-31-27-13-9-10-14-29(27)38-30-16-15-25(41-5)21-28(30)31/h15-16,21,39H,6-14,17-20H2,1-5H3,(H,36,38)(H,37,40)
Affinity DataIC50: 6.72E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50073117(CHEMBL3410951)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
Affinity DataIC50: 6.97E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133412(CHEMBL3632626)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C32H41N3O4/c1-19-20(2)30-23(21(3)29(19)36)14-15-32(4,39-30)31(37)34-17-9-8-16-33-28-24-10-6-7-11-26(24)35-27-13-12-22(38-5)18-25(27)28/h12-13,18,36H,6-11,14-17H2,1-5H3,(H,33,35)(H,34,37)
Affinity DataIC50: 7.21E+3nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50327939(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50133413(CHEMBL3632848)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C33H43N3O4/c1-20-21(2)31-24(22(3)30(20)37)15-16-33(4,40-31)32(38)35-18-10-6-9-17-34-29-25-11-7-8-12-27(25)36-28-14-13-23(39-5)19-26(28)29/h13-14,19,37H,6-12,15-18H2,1-5H3,(H,34,36)(H,35,38)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50327939(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
Affinity DataIC50: 1.76E+4nMAssay Description:Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University Hospital Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50359629(TROLOX)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(O)=O
Show InChI InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
Affinity DataIC50: 1.86E+5nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...More data for this Ligand-Target Pair
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