Found 4 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
(Homo sapiens (Human)) | BDBM50157597
(6-[ethyl-(2-methoxy-benzyl)-amino]-1-(1'-{6-[ethyl...)Show SMILES CCN(CCCCCC(=O)N1CCC(CC1)C1CCN(CC1)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC Show InChI InChI=1S/C42H66N4O4/c1-5-43(33-37-17-11-13-19-39(37)49-3)27-15-7-9-21-41(47)45-29-23-35(24-30-45)36-25-31-46(32-26-36)42(48)22-10-8-16-28-44(6-2)34-38-18-12-14-20-40(38)50-4/h11-14,17-20,35-36H,5-10,15-16,21-34H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE |
J Med Chem 47: 6490-8 (2004)
Article DOI: 10.1021/jm0494366
BindingDB Entry DOI: 10.7270/Q2JD4W91 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50124570
(6-[Ethyl-(2-methoxy-benzyl)-amino]-hexanoic acid [...)Show SMILES CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC Show InChI InChI=1S/C42H70N4O4/c1-7-45(35-37-25-17-19-27-39(37)49-5)33-23-13-15-29-41(47)43(3)31-21-11-9-10-12-22-32-44(4)42(48)30-16-14-24-34-46(8-2)36-38-26-18-20-28-40(38)50-6/h17-20,25-28H,7-16,21-24,29-36H2,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE |
J Med Chem 47: 6490-8 (2004)
Article DOI: 10.1021/jm0494366
BindingDB Entry DOI: 10.7270/Q2JD4W91 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8960
((+/-)-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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 20.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE |
J Med Chem 47: 6490-8 (2004)
Article DOI: 10.1021/jm0494366
BindingDB Entry DOI: 10.7270/Q2JD4W91 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50067482
(6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid ...)Show SMILES COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC Show InChI InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE |
J Med Chem 47: 6490-8 (2004)
Article DOI: 10.1021/jm0494366
BindingDB Entry DOI: 10.7270/Q2JD4W91 |
More data for this
Ligand-Target Pair | |
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