Found 20 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM8963
(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) | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM9047
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM8964
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38) | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM8962
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10469
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10470
(Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...)Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40) | PDB
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Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)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) | Reactome pathway
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10478
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32) | Reactome pathway
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| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM8964
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38) | Reactome pathway
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM9047
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36) | Reactome pathway
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| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM8963
(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) | Reactome pathway
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| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10479
(A3A.2HCl | Bis-THA inhibitor 2 | CHEMBL378006 | N-...)Show SMILES C(CNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33) | Reactome pathway
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| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10469
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39) | Reactome pathway
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10480
(A4A.2HCl | Bis-THA inhibitor 3 | CHEMBL211313 | N-...)Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34) | PDB
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| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10470
(Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...)Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40) | Reactome pathway
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| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)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) | PDB
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Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM10480
(A4A.2HCl | Bis-THA inhibitor 3 | CHEMBL211313 | N-...)Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H34N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,33)(H,32,34) | Reactome pathway
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| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10479
(A3A.2HCl | Bis-THA inhibitor 2 | CHEMBL378006 | N-...)Show SMILES C(CNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H32N4/c1-5-14-24-20(10-1)28(21-11-2-6-15-25(21)32-24)30-18-9-19-31-29-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)29/h1,3,5,7,10,12,14,16H,2,4,6,8-9,11,13,15,17-19H2,(H,30,32)(H,31,33) | PDB
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| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Rattus norvegicus (rat)) | BDBM8962
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35) | Reactome pathway
KEGG
UniProtKB/TrEMBL
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat serum BuChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM10478
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 711 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description
Inhibition of rat brain AChE |
J Med Chem 49: 5491-500 (2006)
Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX |
More data for this
Ligand-Target Pair | |
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