Found 5 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)) | BDBM50362877
(CHEMBL1940738)Show SMILES COc1cc2oc(=O)c(OCCCCOc3cc(O)cc(c3)N(C)C)c(C)c2cc1OC Show InChI InChI=1S/C24H29NO7/c1-15-19-13-21(28-4)22(29-5)14-20(19)32-24(27)23(15)31-9-7-6-8-30-18-11-16(25(2)3)10-17(26)12-18/h10-14,26H,6-9H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.236 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE |
Bioorg Med Chem 20: 1175-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50362875
(CHEMBL1940736)Show InChI InChI=1S/C23H17NO4/c1-26-20-9-5-3-7-18(20)24-13-14-10-23(25)28-21-12-22-17(11-16(14)21)15-6-2-4-8-19(15)27-22/h2-12,24H,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE |
Bioorg Med Chem 20: 1175-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50362876
(CHEMBL1940737)Show SMILES COc1cc2c(C)c(OC)c(=O)oc2cc1OCCCCOc1cc(O)cc(c1)N(C)C Show InChI InChI=1S/C24H29NO7/c1-15-19-13-21(28-4)22(14-20(19)32-24(27)23(15)29-5)31-9-7-6-8-30-18-11-16(25(2)3)10-17(26)12-18/h10-14,26H,6-9H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE |
Bioorg Med Chem 20: 1175-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Rattus norvegicus (rat)) | BDBM50362874
(CHEMBL1940735)Show SMILES COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C26H32N2O5/c1-18-19(2)26(29)33-23-17-24(31-4)25(16-20(18)23)32-15-7-10-27-11-13-28(14-12-27)21-8-5-6-9-22(21)30-3/h5-6,8-9,16-17H,7,10-15H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of AChE in rat brain cortical homogenate |
Bioorg Med Chem 20: 1175-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM10949
(3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...)Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of BuChE |
Bioorg Med Chem 20: 1175-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK |
More data for this
Ligand-Target Pair | |
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