Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50044755 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)) | BDBM50028685
(CHEMBL3356536)Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50231951
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028681
(CHEMBL3356532)Show SMILES Clc1ccc2c(NCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:10| Show InChI InChI=1S/C25H22ClN3O2/c26-15-9-10-19-21(13-15)29-20-8-4-3-7-18(20)24(19)28-12-11-27-22-14-23(30)16-5-1-2-6-17(16)25(22)31/h1-2,5-6,9-10,13-14,27H,3-4,7-8,11-12H2,(H,28,29) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028691
(CHEMBL3356951)Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H21Cl2N3O2/c26-14-9-10-18-20(13-14)30-19-8-4-3-7-17(19)22(18)28-11-12-29-23-21(27)24(31)15-5-1-2-6-16(15)25(23)32/h1-2,5-6,9-10,13,29H,3-4,7-8,11-12H2,(H,28,30) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028682
(CHEMBL3356533)Show SMILES Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:11| Show InChI InChI=1S/C26H24ClN3O2/c27-16-10-11-20-22(14-16)30-21-9-4-3-8-19(21)25(20)29-13-5-12-28-23-15-24(31)17-6-1-2-7-18(17)26(23)32/h1-2,6-7,10-11,14-15,28H,3-5,8-9,12-13H2,(H,29,30) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028679
(CHEMBL3356530)Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28) | 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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8987
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028692
(CHEMBL3356952)Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H23Cl2N3O2/c27-15-10-11-19-21(14-15)31-20-9-4-3-8-18(20)23(19)29-12-5-13-30-24-22(28)25(32)16-6-1-2-7-17(16)26(24)33/h1-2,6-7,10-11,14,30H,3-5,8-9,12-13H2,(H,29,31) | 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 | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028686
(CHEMBL3356537)Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:31| Show InChI InChI=1S/C26H24ClN3O3/c27-15-9-10-17-20(13-15)30-19-7-2-1-5-16(19)25(17)29-12-4-11-28-21-14-23(32)24-18(26(21)33)6-3-8-22(24)31/h3,6,8-10,13-14,28,31H,1-2,4-5,7,11-12H2,(H,29,30) | 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 | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028679
(CHEMBL3356530)Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028684
(CHEMBL3356535)Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028680
(CHEMBL3356531)Show SMILES O=C1C=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C26H25N3O2/c30-24-16-23(26(31)18-9-2-1-8-17(18)24)27-14-7-15-28-25-19-10-3-5-12-21(19)29-22-13-6-4-11-20(22)25/h1-3,5,8-10,12,16,27H,4,6-7,11,13-15H2,(H,28,29) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028683
(CHEMBL3356534)Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028694
(CHEMBL3356954)Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H24ClN3O2/c27-22-24(26(32)17-9-2-1-8-16(17)25(22)31)29-15-7-14-28-23-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)23/h1-3,5,8-10,12,29H,4,6-7,11,13-15H2,(H,28,30) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028683
(CHEMBL3356534)Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028694
(CHEMBL3356954)Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H24ClN3O2/c27-22-24(26(32)17-9-2-1-8-16(17)25(22)31)29-15-7-14-28-23-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)23/h1-3,5,8-10,12,29H,4,6-7,11,13-15H2,(H,28,30) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028680
(CHEMBL3356531)Show SMILES O=C1C=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C26H25N3O2/c30-24-16-23(26(31)18-9-2-1-8-17(18)24)27-14-7-15-28-25-19-10-3-5-12-21(19)29-22-13-6-4-11-20(22)25/h1-3,5,8-10,12,16,27H,4,6-7,11,13-15H2,(H,28,29) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028693
(CHEMBL3356953)Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H22ClN3O2/c26-21-23(25(31)16-8-2-1-7-15(16)24(21)30)28-14-13-27-22-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)22/h1-3,5,7-9,11,28H,4,6,10,12-14H2,(H,27,29) | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028693
(CHEMBL3356953)Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H22ClN3O2/c26-21-23(25(31)16-8-2-1-7-15(16)24(21)30)28-14-13-27-22-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)22/h1-3,5,7-9,11,28H,4,6,10,12-14H2,(H,27,29) | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028684
(CHEMBL3356535)Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29) | 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 | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028682
(CHEMBL3356533)Show SMILES Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:11| Show InChI InChI=1S/C26H24ClN3O2/c27-16-10-11-20-22(14-16)30-21-9-4-3-8-19(21)25(20)29-13-5-12-28-23-15-24(31)17-6-1-2-7-18(17)26(23)32/h1-2,6-7,10-11,14-15,28H,3-5,8-9,12-13H2,(H,29,30) | 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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028692
(CHEMBL3356952)Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H23Cl2N3O2/c27-15-10-11-19-21(14-15)31-20-9-4-3-8-18(20)23(19)29-12-5-13-30-24-22(28)25(32)16-6-1-2-7-17(16)26(24)33/h1-2,6-7,10-11,14,30H,3-5,8-9,12-13H2,(H,29,31) | 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 | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028681
(CHEMBL3356532)Show SMILES Clc1ccc2c(NCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:10| Show InChI InChI=1S/C25H22ClN3O2/c26-15-9-10-19-21(13-15)29-20-8-4-3-7-18(20)24(19)28-12-11-27-22-14-23(30)16-5-1-2-6-17(16)25(22)31/h1-2,5-6,9-10,13-14,27H,3-4,7-8,11-12H2,(H,28,29) | 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 | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028686
(CHEMBL3356537)Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:31| Show InChI InChI=1S/C26H24ClN3O3/c27-15-9-10-17-20(13-15)30-19-7-2-1-5-16(19)25(17)29-12-4-11-28-21-14-23(32)24-18(26(21)33)6-3-8-22(24)31/h3,6,8-10,13-14,28,31H,1-2,4-5,7,11-12H2,(H,29,30) | 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 | 258 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028691
(CHEMBL3356951)Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H21Cl2N3O2/c26-14-9-10-18-20(13-14)30-19-8-4-3-7-17(19)22(18)28-11-12-29-23-21(27)24(31)15-5-1-2-6-16(15)25(23)32/h1-2,5-6,9-10,13,29H,3-4,7-8,11-12H2,(H,28,30) | 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 | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028688
(CHEMBL3356539)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=CC(=O)c4c(O)cccc4C3=O)c2c1 |t:20| Show InChI InChI=1S/C27H27N3O4/c1-34-16-10-11-21-19(14-16)26(17-6-2-3-8-20(17)30-21)29-13-5-12-28-22-15-24(32)25-18(27(22)33)7-4-9-23(25)31/h4,7,9-11,14-15,28,31H,2-3,5-6,8,12-13H2,1H3,(H,29,30) | 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 | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028688
(CHEMBL3356539)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=CC(=O)c4c(O)cccc4C3=O)c2c1 |t:20| Show InChI InChI=1S/C27H27N3O4/c1-34-16-10-11-21-19(14-16)26(17-6-2-3-8-20(17)30-21)29-13-5-12-28-22-15-24(32)25-18(27(22)33)7-4-9-23(25)31/h4,7,9-11,14-15,28,31H,2-3,5-6,8,12-13H2,1H3,(H,29,30) | 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 | 348 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028677
(CHEMBL3356528)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:19| Show InChI InChI=1S/C26H25N3O3/c1-32-16-10-11-22-20(14-16)25(19-8-4-5-9-21(19)29-22)28-13-12-27-23-15-24(30)17-6-2-3-7-18(17)26(23)31/h2-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,1H3,(H,28,29) | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028685
(CHEMBL3356536)Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 542 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028678
(CHEMBL3356529)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:20| Show InChI InChI=1S/C27H27N3O3/c1-33-17-11-12-23-21(15-17)26(20-9-4-5-10-22(20)30-23)29-14-6-13-28-24-16-25(31)18-7-2-3-8-19(18)27(24)32/h2-3,7-8,11-12,15-16,28H,4-6,9-10,13-14H2,1H3,(H,29,30) | 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 | 635 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028687
(CHEMBL3356538)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=CC(=O)c4c(O)cccc4C3=O)c2c1 |t:19| Show InChI InChI=1S/C26H25N3O4/c1-33-15-9-10-20-18(13-15)25(16-5-2-3-7-19(16)29-20)28-12-11-27-21-14-23(31)24-17(26(21)32)6-4-8-22(24)30/h4,6,8-10,13-14,27,30H,2-3,5,7,11-12H2,1H3,(H,28,29) | 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 | 651 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028690
(CHEMBL3356950)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=C(Cl)C(=O)c4ccccc4C3=O)c2c1 |c:20| Show InChI InChI=1S/C27H26ClN3O3/c1-34-16-11-12-22-20(15-16)24(19-9-4-5-10-21(19)31-22)29-13-6-14-30-25-23(28)26(32)17-7-2-3-8-18(17)27(25)33/h2-3,7-8,11-12,15,30H,4-6,9-10,13-14H2,1H3,(H,29,31) | 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 | 742 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028690
(CHEMBL3356950)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=C(Cl)C(=O)c4ccccc4C3=O)c2c1 |c:20| Show InChI InChI=1S/C27H26ClN3O3/c1-34-16-11-12-22-20(15-16)24(19-9-4-5-10-21(19)31-22)29-13-6-14-30-25-23(28)26(32)17-7-2-3-8-18(17)27(25)33/h2-3,7-8,11-12,15,30H,4-6,9-10,13-14H2,1H3,(H,29,31) | 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 | 809 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8987
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 847 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028689
(CHEMBL3356540)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=C(Cl)C(=O)c4ccccc4C3=O)c2c1 |c:19| Show InChI InChI=1S/C26H24ClN3O3/c1-33-15-10-11-21-19(14-15)23(18-8-4-5-9-20(18)30-21)28-12-13-29-24-22(27)25(31)16-6-2-3-7-17(16)26(24)32/h2-3,6-7,10-11,14,29H,4-5,8-9,12-13H2,1H3,(H,28,30) | 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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50028687
(CHEMBL3356538)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=CC(=O)c4c(O)cccc4C3=O)c2c1 |t:19| Show InChI InChI=1S/C26H25N3O4/c1-33-15-9-10-20-18(13-15)25(16-5-2-3-7-19(16)29-20)28-12-11-27-21-14-23(31)24-17(26(21)32)6-4-8-22(24)30/h4,6,8-10,13-14,27,30H,2-3,5,7,11-12H2,1H3,(H,28,29) | 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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028689
(CHEMBL3356540)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=C(Cl)C(=O)c4ccccc4C3=O)c2c1 |c:19| Show InChI InChI=1S/C26H24ClN3O3/c1-33-15-10-11-21-19(14-15)23(18-8-4-5-9-20(18)30-21)28-12-13-29-24-22(27)25(31)16-6-2-3-7-17(16)26(24)32/h2-3,6-7,10-11,14,29H,4-5,8-9,12-13H2,1H3,(H,28,30) | 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 | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50231951
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028677
(CHEMBL3356528)Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:19| Show InChI InChI=1S/C26H25N3O3/c1-32-16-10-11-22-20(14-16)25(19-8-4-5-9-21(19)29-22)28-13-12-27-23-15-24(30)17-6-2-3-7-18(17)26(23)31/h2-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,1H3,(H,28,29) | 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 | 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50028678
(CHEMBL3356529)Show SMILES COc1ccc2nc3CCCCc3c(NCCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:20| Show InChI InChI=1S/C27H27N3O3/c1-33-17-11-12-23-21(15-17)26(20-9-4-5-10-22(20)30-23)29-14-6-13-28-24-16-25(31)18-7-2-3-8-19(18)27(24)32/h2-3,7-8,11-12,15-16,28H,4-6,9-10,13-14H2,1H3,(H,29,30) | 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 | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50327939
(7-methoxytacrine | CHEMBL1256415)Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50327939
(7-methoxytacrine | CHEMBL1256415)Show InChI InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman method |
J Med Chem 57: 8576-89 (2014)
Article DOI: 10.1021/jm5010804
BindingDB Entry DOI: 10.7270/Q25H7HVD |
More data for this
Ligand-Target Pair | |
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