Compile Data Set for Download or QSAR
Found 40 of ki for UniProtKB: P23795
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM8965(CHEMBL338755 | Tacrine Dimer 4a | methylbis[3-(1,2...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM10516(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
Affinity DataKi:  1nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di 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:  1.30nMAssay Description:Inhibition of fetal bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di 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:  1.30nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

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 DataKi:  2.90nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50122492(CHEMBL131386 | N-[3-(6,8-Dichloro-1,2,3,4-tetrahyd...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C33H39Cl2N5/c1-40(18-8-16-36-32-23-10-2-5-13-27(23)38-28-14-6-3-11-24(28)32)19-9-17-37-33-25-12-4-7-15-29(25)39-30-21-22(34)20-26(35)31(30)33/h2,5,10,13,20-21H,3-4,6-9,11-12,14-19H2,1H3,(H,36,38)(H,37,39)
Affinity DataKi:  3.70nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50342601(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
Affinity DataKi:  5.90nMAssay Description:Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50342601(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
Affinity DataKi:  5.90nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM10519(CHEMBL51350 | N-{7-[(6,8-dichloro-1,2,3,4-tetrahyd...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-20-26(35)31-30(21-22)39-29-17-9-6-14-25(29)33(31)37-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)38-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,38)(H,37,39)
Affinity DataKi:  6nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  7.70nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50424045(CHEMBL2314726)
Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m0/s1
Affinity DataKi:  8.60nMAssay Description:Mixed-type reversible inhibition of bovine acetylcholinesterase using S-acetylthiocholine as substrate incubated for 20 mins prior to substrate addit...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

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:  9.10nMAssay Description:Inhibition of fetal bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  17nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  17nMAssay Description:Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50342853(4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-...)
Show SMILES COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+]3CCCCC3)cc2)cc1
Show InChI InChI=1S/C34H40N4O2/c1-39-33-22-29-10-21-38(26-30(29)23-34(33)40-2)32-13-19-36(20-14-32)25-28-8-6-27(7-9-28)24-35-17-11-31(12-18-35)37-15-4-3-5-16-37/h6-9,11-14,17-20,22-23H,3-5,10,15-16,21,24-26H2,1-2H3/q+2
Affinity DataKi:  21nMAssay Description:Inhibition of bovine AChE at 30 nM using S-acetylthiocholine as as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50342601(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
Affinity DataKi:  24nMAssay Description:Inhibitory constant against fetal bovine serum (FBS) acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50342601(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
Affinity DataKi:  24nMAssay Description:Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  31nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

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 DataKi:  40nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM10624(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
Affinity DataKi:  57nMAssay Description:Inhibition of bovine AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM10518(6,8-dichloro-N-{7-[(6,8-dichloro-1,2,3,4-tetrahydr...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H36Cl4N4/c34-20-16-24(36)30-28(18-20)40-26-12-6-4-10-22(26)32(30)38-14-8-2-1-3-9-15-39-33-23-11-5-7-13-27(23)41-29-19-21(35)17-25(37)31(29)33/h16-19H,1-15H2,(H,38,40)(H,39,41)
Affinity DataKi:  150nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM120262(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
Affinity DataKi:  200nMAssay Description:Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50122491((1,2,3,4-Tetrahydro-acridin-9-yl)-[5-(1,2,3,4-tetr...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N3S/c1(10-20-32-30-22-12-2-6-16-26(22)33-27-17-7-3-13-23(27)30)11-21-35-31-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,33)
Affinity DataKi:  210nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50113645(CHEMBL39918 | Huperzine Analogue)
Show SMILES CC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1
Show InChI InChI=1S/C16H18N2O/c1-9-5-11-6-13-12(3-4-14(19)18-13)16(7-9)15(11)10(2)8-17-16/h3-5,11,17H,6-8H2,1-2H3,(H,18,19)
Affinity DataKi:  220nMAssay Description:Inhibitory constant against fetal bovine serum (FBS) acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di 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:  250nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM8970(CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)
Affinity DataKi:  340nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50113646(CHEMBL37105 | Huperzine Analogue)
Show SMILES CCC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1
Show InChI InChI=1S/C17H20N2O/c1-3-11-9-18-17-8-10(2)6-12(16(11)17)7-14-13(17)4-5-15(20)19-14/h4-6,12,18H,3,7-9H2,1-2H3,(H,19,20)
Affinity DataKi:  400nMAssay Description:Inhibitory constant against fetal bovine serum (FBS) acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50199518((-)-huperzine B | CHEMBL245079 | huperzine B)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Affinity DataKi:  794nMAssay Description:Inhibitory constant against fetal bovine serum (FBS) acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50059903(CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...)
Show SMILES CCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C11H24NO2S/c1-5-6-7-10-15-11(13)14-9-8-12(2,3)4/h5-10H2,1-4H3/q+1
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM39344(4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di 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:  1.50E+3nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50113648(CHEMBL290113 | Huperzine Analogue)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C3(C1)NCCC(C)=C23
Show InChI InChI=1S/C17H20N2O/c1-10-7-12-8-14-13(3-4-15(20)19-14)17(9-10)16(12)11(2)5-6-18-17/h3-4,7,12,18H,5-6,8-9H2,1-2H3,(H,19,20)
Affinity DataKi:  2.05E+3nMAssay Description:Inhibitory constant against fetal bovine serum (FBS) acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50462414(CHEMBL2003451)
Show SMILES CC(=O)OC12OC(=O)c3ccccc3N1C(=O)C=C2
Show InChI InChI=1S/C13H9NO5/c1-8(15)18-13-7-6-11(16)14(13)10-5-3-2-4-9(10)12(17)19-13/h2-7H,1H3
Affinity DataKi:  4.70E+3nMAssay Description:Inhibition of bovine AChE using ACH iodide as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hrs by spectroph...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50109574(3-Dimethylcarbamoyloxy-2-(2,2-diphenyl-propionylox...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1
Affinity DataKi:  5.62E+3nMAssay Description:Inhibitory activity against Acetylcholinesterase (AChE)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50059899((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...)
Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C13H28NO2S/c1-5-6-7-8-9-12-17-13(15)16-11-10-14(2,3)4/h5-12H2,1-4H3/q+1
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50313079(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
Affinity DataKi:  1.97E+4nMAssay Description:Inhibitory activity against Acetylcholinesterase (AChE)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50109572(2,2-Diphenyl-propionic acid 3-dimethylcarbamoyloxy...)
Show SMILES CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H24N2O4/c1-24(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22(27)29-17-20-21(15-10-16-25-20)30-23(28)26(2)3/h4-16H,17H2,1-3H3
Affinity DataKi:  3.88E+4nMAssay Description:Inhibitory activity against Acetylcholinesterase (AChE)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50109575(2,2-Diphenyl-propionic acid 3-dimethylcarbamoyloxy...)
Show SMILES CN(C)C(=O)OC1=CCCN(C)C1COC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-10,12-16,21H,11,17-18H2,1-4H3
Affinity DataKi:  4.59E+4nMAssay Description:Inhibitory activity against Acetylcholinesterase (AChE)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50109573(CHEMBL173694 | Dimethyl-carbamic acid 2-hydroxymet...)
Show SMILES CN(C)C(=O)Oc1cccnc1CO
Show InChI InChI=1S/C9H12N2O3/c1-11(2)9(13)14-8-4-3-5-10-7(8)6-12/h3-5,12H,6H2,1-2H3
Affinity DataKi:  5.21E+4nMAssay Description:Inhibitory activity against Acetylcholinesterase (AChE)More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM8958(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
Affinity DataKi:  1.73E+5nMAssay Description:Inhibition of fetal Bovine serum AChEMore data for this Ligand-Target Pair