Compile Data Set for Download or QSAR
Found 9724 Enz. Inhib. hit(s) with Target = 'Cholinesterase'
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50005193(CHEMBL3099496)
Show SMILES [O-][N+](=O)c1cccc2c(NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc12
Show InChI InChI=1S/C34H41N5O2/c40-39(41)31-21-13-17-27-33(26-16-7-10-20-30(26)38-34(27)31)36-23-12-4-2-1-3-11-22-35-32-24-14-5-8-18-28(24)37-29-19-9-6-15-25(29)32/h5,8,13-14,17-18,21H,1-4,6-7,9-12,15-16,19-20,22-23H2,(H,35,37)(H,36,38)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of human butyrylcholine esteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50234795(CHEMBL4089082)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N[C@H]4NCC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C21H25N3O2/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25)/t19-,21+/m1/s1
Affinity DataKi:  0.131nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271323(CHEMBL501587 | N-{4-[(1,2,3, 4-Tetrahydroacridin-9...)
Show SMILES CC(=O)N(CCCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H42N4OS/c1-25(40)39(23-12-24-41-35-28-15-4-8-19-32(28)38-33-20-9-5-16-29(33)35)22-11-10-21-36-34-26-13-2-6-17-30(26)37-31-18-7-3-14-27(31)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,37)
Affinity DataKi:  0.270nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8971(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
Affinity DataKi:  0.400nMAssay Description:Inhibition of Equine ButyrylcholinesteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271468(CHEMBL490060 | N-Ethyl-N-(1,2,3,4-tetrahydroacridi...)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H45N5/c1-2-40(25-13-23-37-35-28-16-5-9-20-32(28)39-33-21-10-6-17-29(33)35)24-12-11-22-36-34-26-14-3-7-18-30(26)38-31-19-8-4-15-27(31)34/h3,5,7,9,14,16,18,20H,2,4,6,8,10-13,15,17,19,21-25H2,1H3,(H,36,38)(H,37,39)
Affinity DataKi:  0.435nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Mus musculus (Mouse))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50377920(CHEMBL540657)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cn(CCNc3c4CCCCc4nc4ccccc34)nn1)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1
Affinity DataKi:  0.460nMAssay Description:Inhibition of mouse BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50210854(CHEMBL3960040)
Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1
Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)
Affinity DataKi:  0.700nMAssay Description:Competitive inhibition of horse serum BChE in presence of varying levels of butyrylthiocholine iodide substrate by Lineweaver-burk plot methodMore data for this Ligand-Target Pair
TargetCholinesterase(Mus musculus (Mouse))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50149201(3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...)
Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1
Affinity DataKi:  0.720nMAssay Description:Inhibition of mouse BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271325(CHEMBL451277 | N-{4-[(1,2,3,4-Tetrahydroacridin-9-...)
Show SMILES CC(=O)N(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N5O/c1-25(41)40(24-12-22-37-35-28-15-4-8-19-32(28)39-33-20-9-5-16-29(33)35)23-11-10-21-36-34-26-13-2-6-17-30(26)38-31-18-7-3-14-27(31)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,38)(H,37,39)
Affinity DataKi:  0.725nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8977(CHEMBL175949 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H42N4OS/c1-25(40)39(23-12-21-36-34-26-13-2-6-17-30(26)37-31-18-7-3-14-27(31)34)22-10-11-24-41-35-28-15-4-8-19-32(28)38-33-20-9-5-16-29(33)35/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,37)
Affinity DataKi:  0.740nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271324(CHEMBL482512 | N-(1,2,3,4-Tetrahydroacridin-9-yl)-...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CNCCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4S/c1-5-16-28-24(12-1)32(25-13-2-6-17-29(25)36-28)35-22-10-9-20-34-21-11-23-38-33-26-14-3-7-18-30(26)37-31-19-8-4-15-27(31)33/h1,3,5,7,12,14,16,18,34H,2,4,6,8-11,13,15,17,19-23H2,(H,35,36)
Affinity DataKi:  0.779nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271367(CHEMBL489454 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5/c1-39(24-12-22-36-34-27-15-4-8-19-31(27)38-32-20-9-5-16-28(32)34)23-11-10-21-35-33-25-13-2-6-17-29(25)37-30-18-7-3-14-26(30)33/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)
Affinity DataKi:  0.819nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271367(CHEMBL489454 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5/c1-39(24-12-22-36-34-27-15-4-8-19-31(27)38-32-20-9-5-16-28(32)34)23-11-10-21-35-33-25-13-2-6-17-29(25)37-30-18-7-3-14-26(30)33/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)
Affinity DataKi:  0.820nMAssay Description:Inhibition of human butyrylcholine esteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271472(1,3-bis{[(1,2,3,4-Tetrahydroacridin-9-yl)amino]eth...)
Show SMILES C(Cc1cccc(CCNc2c3CCCCc3nc3ccccc23)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H38N4/c1-5-16-31-27(12-1)35(28-13-2-6-17-32(28)39-31)37-22-20-25-10-9-11-26(24-25)21-23-38-36-29-14-3-7-18-33(29)40-34-19-8-4-15-30(34)36/h1,3,5,7,9-12,14,16,18,24H,2,4,6,8,13,15,17,19-23H2,(H,37,39)(H,38,40)
Affinity DataKi:  0.924nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50468733(CHEMBL4294570)
Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-13-12-22-10-5-11-27(34)28(22)30-26)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3
Affinity DataKi:  1.10nMAssay Description:Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515472(CHEMBL4469822)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)
Affinity DataKi:  1.10nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515454(CHEMBL4550977)
Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)
Affinity DataKi:  1.10nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271470(CHEMBL499224 | N-(2-Hydroxyethyl)-N-(1,2,3,4-tetra...)
Show SMILES OCCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H45N5O/c41-25-24-40(23-11-21-37-35-28-14-3-7-18-32(28)39-33-19-8-4-15-29(33)35)22-10-9-20-36-34-26-12-1-5-16-30(26)38-31-17-6-2-13-27(31)34/h1,3,5,7,12,14,16,18,41H,2,4,6,8-11,13,15,17,19-25H2,(H,36,38)(H,37,39)
Affinity DataKi:  1.19nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265253((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H29N5O/c27-21(15-17-16-30-22-10-4-1-7-18(17)22)26(32)29-14-13-28-25-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)25/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,27H2,(H,28,31)(H,29,32)/t21-/m0/s1
Affinity DataKi:  1.33nMAssay Description:Inhibition of human recombinant BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50235800(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
Affinity DataKi:  1.40nMAssay Description:Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cellsMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50235799(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H
Affinity DataKi:  1.40nMAssay Description:Irreversible inhibition of equine serum BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre...More data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50235801(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H
Affinity DataKi:  1.5nMAssay Description:Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cellsMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515453(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
Affinity DataKi:  1.5nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8971(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
Affinity DataKi:  1.65nMAssay Description:Inhibition of human recombinant BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8971(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
Affinity DataKi:  1.65nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50468736(CHEMBL4283585)
Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2cccnc2c1O
Show InChI InChI=1S/C29H36N4O2/c1-31(2)15-16-33(29(35)26-12-11-22-10-5-13-30-27(22)28(26)34)20-21-7-6-14-32(19-21)25-17-23-8-3-4-9-24(23)18-25/h3-5,8-13,21,25,34H,6-7,14-20H2,1-2H3
Affinity DataKi:  1.70nMAssay Description:Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515473(CHEMBL4572757)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)
Affinity DataKi:  1.70nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50433313(CHEMBL2376474)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C36H41FN4O5/c1-25(27-16-19-29(32(37)24-27)26-14-17-28(18-15-26)45-22-23-46-41(43)44)36(42)39-21-9-3-2-8-20-38-35-30-10-4-6-12-33(30)40-34-13-7-5-11-31(34)35/h4,6,10,12,14-19,24-25H,2-3,5,7-9,11,13,20-23H2,1H3,(H,38,40)(H,39,42)
Affinity DataKi:  1.70nMAssay Description:Competitive inhibition of equine serum BChE by Lineweaver Burk reciprocal plot analysis in presence of acetylcholineMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8971(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human butyrylcholine esteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265256((S)-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethy...)
Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H48N6O/c45-38(41-23-11-1-10-22-39-36-27-13-2-6-17-31(27)42-32-18-7-3-14-28(32)36)35-21-12-25-44(35)26-24-40-37-29-15-4-8-19-33(29)43-34-20-9-5-16-30(34)37/h2,4,6,8,13,15,17,19,35H,1,3,5,7,9-12,14,16,18,20-26H2,(H,39,42)(H,40,43)(H,41,45)/t35-/m0/s1
Affinity DataKi:  1.77nMAssay Description:Inhibition of human recombinant BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50265252((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H37N5O3/c1-31(2,3)39-30(38)36-27(18-20-19-34-24-13-7-4-10-21(20)24)29(37)33-17-16-32-28-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)28/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,32,35)(H,33,37)(H,36,38)/t27-/m0/s1
Affinity DataKi:  1.87nMAssay Description:Inhibition of human recombinant BChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271473(2,6-bis{[(1,2,3,4-Tetrahydroacridin-9-yl)amino]eth...)
Show SMILES C(Cc1cccc(CCNc2c3CCCCc3nc3ccccc23)n1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H37N5/c1-5-16-30-26(12-1)34(27-13-2-6-17-31(27)39-30)36-22-20-24-10-9-11-25(38-24)21-23-37-35-28-14-3-7-18-32(28)40-33-19-8-4-15-29(33)35/h1,3,5,7,9-12,14,16,18H,2,4,6,8,13,15,17,19-23H2,(H,36,39)(H,37,40)
Affinity DataKi:  1.87nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515453(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
Affinity DataKi:  1.90nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515465(CHEMBL4536715)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+
Affinity DataKi:  1.90nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515470(CHEMBL4555120)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)
Affinity DataKi:  1.90nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
Affinity DataKi:  2nMAssay Description:Inhibition of Equine ButyrylcholinesteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM8963(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
Affinity DataKi:  2nMAssay Description:Inhibition of horse BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8969(CHEMBL131410 | N,N-bis[3-(1,2,3,4-tetrahydroacridi...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38)
Affinity DataKi:  2nMAssay Description:Inhibition of Equine ButyrylcholinesteraseMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50027375(CHEMBL3338394)
Show SMILES COCCN(C[C@@H]1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3/t22-/m1/s1
Affinity DataKi:  2.70nMAssay Description:Inhibition of recombinant human BChE at 50 nM by stopped flow apparatus methodMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515459(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
Affinity DataKi:  2.70nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515460(CHEMBL4475228)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)
Affinity DataKi:  2.90nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM8975(CHEMBL179192 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H40N4OS/c1-24(39)38(21-10-20-35-33-25-12-2-6-16-29(25)36-30-17-7-3-13-26(30)33)22-11-23-40-34-27-14-4-8-18-31(27)37-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,36)
Affinity DataKi:  3.13nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515468(CHEMBL4483710)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
Affinity DataKi:  3.20nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515461(CHEMBL4535585)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)
Affinity DataKi:  3.20nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271471(1,4-bis[3-(1,2,3,4-Tetrahydroacridin-9-yl)aminopro...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)CN1CCN(CCCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C36H46N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-26H2,(H,37,39)(H,38,40)
Affinity DataKi:  3.22nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50219206(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
Affinity DataKi:  3.5nMAssay Description:Inhibition of human plasma BuChE activityMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))
University of Siena

Curated by ChEMBL
LigandPNGBDBM50271469(CHEMBL507174 | N-Allyl-N-(1,2,3,4-tetrahydroacridi...)
Show SMILES C=CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H45N5/c1-2-24-41(26-13-23-38-36-29-16-5-9-20-33(29)40-34-21-10-6-17-30(34)36)25-12-11-22-37-35-27-14-3-7-18-31(27)39-32-19-8-4-15-28(32)35/h2-3,5,7,9,14,16,18,20H,1,4,6,8,10-13,15,17,19,21-26H2,(H,37,39)(H,38,40)
Affinity DataKi:  4.19nMAssay Description:Inhibition of human recombinant BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM8974(CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4S/c1-37(21-10-20-34-32-24-12-2-6-16-28(24)35-29-17-7-3-13-25(29)32)22-11-23-38-33-26-14-4-8-18-30(26)36-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,35)
Affinity DataKi:  4.20nMAssay Description:Inhibition of horse BuChEMore data for this Ligand-Target Pair
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515471(CHEMBL4531167)
Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H32N2O2/c29-21-14-12-20(13-15-21)16-19-30-18-7-1-6-17-27-26-22-8-2-4-10-24(22)28-25-11-5-3-9-23(25)26/h2,4,8,10,12-15,29H,1,3,5-7,9,11,16-19H2,(H,27,28)
Affinity DataKi:  4.5nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCholinesterase(Equus caballus (Horse))
University of Bari"A. Moro"

Curated by ChEMBL
LigandPNGBDBM50515459(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
Affinity DataKi:  4.60nMAssay Description:Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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