Found 8 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 |
|---|
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM50135653
(2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...)Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10| Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50135653
(2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...)Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10| Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against acetylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM50135654
(2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,...)Show SMILES COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38| Show InChI InChI=1S/C61H74N6O12/c1-68-44-13-38(14-45(25-44)69-2)32-62-57-58-63(33-39-15-46(70-3)26-47(16-39)71-4)56-31-61(56)66(36-42-21-52(76-9)29-53(22-42)77-10)59(64(57)34-40-17-48(72-5)27-49(18-40)73-6)60(65(58)35-41-19-50(74-7)28-51(20-41)75-8)67(61)37-43-23-54(78-11)30-55(24-43)79-12/h13-30,56-60,62H,31-37H2,1-12H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50135654
(2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,...)Show SMILES COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38| Show InChI InChI=1S/C61H74N6O12/c1-68-44-13-38(14-45(25-44)69-2)32-62-57-58-63(33-39-15-46(70-3)26-47(16-39)71-4)56-31-61(56)66(36-42-21-52(76-9)29-53(22-42)77-10)59(64(57)34-40-17-48(72-5)27-49(18-40)73-6)60(65(58)35-41-19-50(74-7)28-51(20-41)75-8)67(61)37-43-23-54(78-11)30-55(24-43)79-12/h13-30,56-60,62H,31-37H2,1-12H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against acetylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM50135652
(2,6,8N,9,11,12-hexabenzo[d][1,3]dioxol-5-ylmethyl-...)Show SMILES C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31| Show InChI InChI=1S/C55H50N6O12/c1-7-38-44(68-26-62-38)13-32(1)20-56-51-52-57(21-33-2-8-39-45(14-33)69-27-63-39)50-19-55(50)60(24-36-5-11-42-48(17-36)72-30-66-42)53(58(51)22-34-3-9-40-46(15-34)70-28-64-40)54(59(52)23-35-4-10-41-47(16-35)71-29-65-41)61(55)25-37-6-12-43-49(18-37)73-31-67-43/h1-18,50-54,56H,19-31H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50135652
(2,6,8N,9,11,12-hexabenzo[d][1,3]dioxol-5-ylmethyl-...)Show SMILES C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31| Show InChI InChI=1S/C55H50N6O12/c1-7-38-44(68-26-62-38)13-32(1)20-56-51-52-57(21-33-2-8-39-45(14-33)69-27-63-39)50-19-55(50)60(24-36-5-11-42-48(17-36)72-30-66-42)53(58(51)22-34-3-9-40-46(15-34)70-28-64-40)54(59(52)23-35-4-10-41-47(16-35)71-29-65-41)61(55)25-37-6-12-43-49(18-37)73-31-67-43/h1-18,50-54,56H,19-31H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against acetylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Carboxylic ester hydrolase
(Equus caballus (Horse)) | BDBM50135655
(2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12-hexaazatetr...)Show SMILES C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25| Show InChI InChI=1S/C49H50N6/c1-7-19-38(20-8-1)32-50-45-46-51(33-39-21-9-2-10-22-39)44-31-49(44)54(36-42-27-15-5-16-28-42)47(52(45)34-40-23-11-3-12-24-40)48(53(46)35-41-25-13-4-14-26-41)55(49)37-43-29-17-6-18-30-43/h1-30,44-48,50H,31-37H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50135655
(2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12-hexaazatetr...)Show SMILES C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25| Show InChI InChI=1S/C49H50N6/c1-7-19-38(20-8-1)32-50-45-46-51(33-39-21-9-2-10-22-39)44-31-49(44)54(36-42-27-15-5-16-28-42)47(52(45)34-40-23-11-3-12-24-40)48(53(46)35-41-25-13-4-14-26-41)55(49)37-43-29-17-6-18-30-43/h1-30,44-48,50H,31-37H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Chung-Hsing University
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against acetylcholinesterase |
Bioorg Med Chem Lett 13: 2887-90 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WT0 |
More data for this
Ligand-Target Pair | |
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