Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50039014 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 |
|---|
Cholinesterase
(Homo sapiens (Human)) | BDBM50303940
(2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...)Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303950
(CHEMBL583687 | Isosorbide-2-benzylcarbamate-5-(o-t...)Show SMILES Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H23NO6/c1-14-7-5-6-10-16(14)21(24)28-17-12-26-20-18(13-27-19(17)20)29-22(25)23-11-15-8-3-2-4-9-15/h2-10,17-20H,11-13H2,1H3,(H,23,25)/t17-,18+,19-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50253231
((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO6/c23-20(15-9-5-2-6-10-15)27-16-12-25-19-17(13-26-18(16)19)28-21(24)22-11-14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,22,24)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303952
(2-(Dimethylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,...)Show SMILES CN(C)C(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C16H19NO7/c1-17(2)16(20)24-12-8-22-13-11(7-21-14(12)13)23-15(19)9-5-3-4-6-10(9)18/h3-6,11-14,18H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303951
(2-(Ethylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-d...)Show SMILES CCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C16H19NO7/c1-2-17-16(20)24-12-8-22-13-11(7-21-14(12)13)23-15(19)9-5-3-4-6-10(9)18/h3-6,11-14,18H,2,7-8H2,1H3,(H,17,20)/t11-,12+,13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50253266
((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25NO6/c29-26(21-13-11-20(12-14-21)19-9-5-2-6-10-19)33-22-16-31-25-23(17-32-24(22)25)34-27(30)28-15-18-7-3-1-4-8-18/h1-14,22-25H,15-17H2,(H,28,30)/t22-,23+,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303941
(2-(Benzylaminocarbonyloxy-)5-O-(m-hydroxybenzoyl)-...)Show SMILES Oc1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-8-4-7-14(9-15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-5-2-1-3-6-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303943
(2-(Benzylaminocarbonyloxy-)5-O-(o-nitro-benzoyl)-1...)Show SMILES [O-][N+](=O)c1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H20N2O8/c24-20(14-8-4-5-9-15(14)23(26)27)30-16-11-28-19-17(12-29-18(16)19)31-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303946
(2-(benzylaminocarbonyloxy-)5-O-(o-amino-benzoyl)-1...)Show SMILES Nc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H22N2O6/c22-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)23-10-13-6-2-1-3-7-13/h1-9,16-19H,10-12,22H2,(H,23,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303944
(2-(Benzylaminocarbonyloxy-)5-O-(m-nitro-benzoyl)-1...)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H20N2O8/c24-20(14-7-4-8-15(9-14)23(26)27)30-16-11-28-19-17(12-29-18(16)19)31-21(25)22-10-13-5-2-1-3-6-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM10620
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303949
(2-(Benzylaminocarbonyloxy-)5-O-(o-nitroso-benzoyl)...)Show SMILES O=Nc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H20N2O7/c24-20(14-8-4-5-9-15(14)23-26)29-16-11-27-19-17(12-28-18(16)19)30-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of electric eel AChE type 6S |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50253230
((3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)hexahydrofur...)Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1cccnc1 |r| Show InChI InChI=1S/C20H20N2O6/c23-19(14-7-4-8-21-10-14)27-15-11-25-18-16(12-26-17(15)18)28-20(24)22-9-13-5-2-1-3-6-13/h1-8,10,15-18H,9,11-12H2,(H,22,24)/t15-,16+,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303939
((3R,3aR,6S,6aR)-6-(butylcarbamoyloxy)hexahydrofuro...)Show SMILES CCCCNC(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H23NO6/c1-2-3-9-19-18(21)25-14-11-23-15-13(10-22-16(14)15)24-17(20)12-7-5-4-6-8-12/h4-8,13-16H,2-3,9-11H2,1H3,(H,19,21)/t13-,14+,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303947
(2-(Benzylaminocarbonyloxy-)5-O-(m-amino-benzoyl)-1...)Show SMILES Nc1cccc(c1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H22N2O6/c22-15-8-4-7-14(9-15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)23-10-13-5-2-1-3-6-13/h1-9,16-19H,10-12,22H2,(H,23,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303945
(2-(Benzylaminocarbonyloxy-)5-O-(p-nitro-benzoyl)-1...)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H20N2O8/c24-20(14-6-8-15(9-7-14)23(26)27)30-16-11-28-19-17(12-29-18(16)19)31-21(25)22-10-13-4-2-1-3-5-13/h1-9,16-19H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303948
(2-(Benzylaminocarbonyloxy-)5-O-(p-amino-benzoyl)-1...)Show SMILES Nc1ccc(cc1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H22N2O6/c22-15-8-6-14(7-9-15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)23-10-13-4-2-1-3-5-13/h1-9,16-19H,10-12,22H2,(H,23,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303942
(2-(Benzylaminocarbonyloxy-)5-O-(p-hydroxy-benzoyl)...)Show SMILES Oc1ccc(cc1)C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-8-6-14(7-9-15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-4-2-1-3-5-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303954
(2-(Morpholinocarbonyloxy-)5-O-salicyloyl-1,4:3,6-d...)Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C18H21NO8/c20-12-4-2-1-3-11(12)17(21)26-13-9-24-16-14(10-25-15(13)16)27-18(22)19-5-7-23-8-6-19/h1-4,13-16,20H,5-10H2/t13-,14+,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50303953
(2-(Diethylaminocarbonyloxy-)5-O-salicyloyl-1,4:3,6...)Show SMILES CCN(CC)C(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)c1ccccc1O |r| Show InChI InChI=1S/C18H23NO7/c1-3-19(4-2)18(22)26-14-10-24-15-13(9-23-16(14)15)25-17(21)11-7-5-6-8-12(11)20/h5-8,13-16,20H,3-4,9-10H2,1-2H3/t13-,14+,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cocaine esterase
(Homo sapiens (Human)) | BDBM50303940
(2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...)Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1 | NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of human CES2-mediated pNPA substrate turnover |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50252790
(CHEMBL524046 | Isosorbide-2-benzylcarbamate | isos...)Show SMILES O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C14H17NO5/c16-10-7-18-13-11(8-19-12(10)13)20-14(17)15-6-9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,15,17)/t10-,11+,12-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of BuChE in human liver microsomes |
J Med Chem 53: 1190-9 (2010)
Article DOI: 10.1021/jm9014845
BindingDB Entry DOI: 10.7270/Q26M37S1 |
More data for this
Ligand-Target Pair | |
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