BindingDB logo
myBDB logout

PubMed code 22818849

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389383
PNG
(CHEMBL2064464)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.318n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389383
PNG
(CHEMBL2064464)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.73n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389380
PNG
(CHEMBL2064468)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389381
PNG
(CHEMBL2064466)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13.7n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389384
PNG
(CHEMBL2064404)
Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16.8n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389379
PNG
(CHEMBL2064470)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24.7n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389380
PNG
(CHEMBL2064468)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47.6n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389384
PNG
(CHEMBL2064404)
Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76.1n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389379
PNG
(CHEMBL2064470)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389381
PNG
(CHEMBL2064466)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85.5n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
225n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
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
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.09E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
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
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.34E+3n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389385
PNG
(CHEMBL2064471)
Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C37H47N7O/c45-35(17-18-38-19-20-39-36-27-9-1-5-13-31(27)41-32-14-6-2-10-28(32)36)44-25-23-43(24-26-44)22-21-40-37-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)37/h1,3,5,7,9,11,13,15,38H,2,4,6,8,10,12,14,16-26H2,(H,39,41)(H,40,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.49n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.97n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389383
PNG
(CHEMBL2064464)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.9n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389381
PNG
(CHEMBL2064466)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33.7n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389380
PNG
(CHEMBL2064468)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40.7n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41.2n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389384
PNG
(CHEMBL2064404)
Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51.7n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389383
PNG
(CHEMBL2064464)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H43N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h5,7,11,13,23H,2-4,6,8-10,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63.7n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389381
PNG
(CHEMBL2064466)
Show SMILES CN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H37N5O/c1-32(23-9-3-2-4-10-23)17-15-28(35)34-21-19-33(20-22-34)18-16-30-29-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)29/h2-5,7,9-11,13H,6,8,12,14-22H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70.3n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389384
PNG
(CHEMBL2064404)
Show SMILES O=C(CCN1CCCCC1)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C27H39N5O/c33-26(12-16-30-14-6-1-7-15-30)32-20-18-31(19-21-32)17-13-28-27-22-8-2-4-10-24(22)29-25-11-5-3-9-23(25)27/h2,4,8,10H,1,3,5-7,9,11-21H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77.8n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389379
PNG
(CHEMBL2064470)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84.8n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389386
PNG
(CHEMBL2064469)
Show SMILES CCN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5/c1-2-35(25-11-4-3-5-12-25)19-10-18-33-21-23-34(24-22-33)20-17-31-30-26-13-6-8-15-28(26)32-29-16-9-7-14-27(29)30/h6,8,13,15,25H,2-5,7,9-12,14,16-24H2,1H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389380
PNG
(CHEMBL2064468)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C29H45N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h5,7,12,14,24H,2-4,6,8-11,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 137n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389386
PNG
(CHEMBL2064469)
Show SMILES CCN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5/c1-2-35(25-11-4-3-5-12-25)19-10-18-33-21-23-34(24-22-33)20-17-31-30-26-13-6-8-15-28(26)32-29-16-9-7-14-27(29)30/h6,8,13,15,25H,2-5,7,9-12,14,16-24H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 194n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389379
PNG
(CHEMBL2064470)
Show SMILES CN(CCCN1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C29H39N5/c1-32(24-10-3-2-4-11-24)17-9-18-33-20-22-34(23-21-33)19-16-30-29-25-12-5-7-14-27(25)31-28-15-8-6-13-26(28)29/h2-5,7,10-12,14H,6,8-9,13,15-23H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 211n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
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
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50389385
PNG
(CHEMBL2064471)
Show SMILES O=C(CCNCCNc1c2CCCCc2nc2ccccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C37H47N7O/c45-35(17-18-38-19-20-39-36-27-9-1-5-13-31(27)41-32-14-6-2-10-28(32)36)44-25-23-43(24-26-44)22-21-40-37-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)37/h1,3,5,7,9,11,13,15,38H,2,4,6,8,10,12,14,16-26H2,(H,39,41)(H,40,42)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
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
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50327939
PNG
(7-methoxytacrine | CHEMBL1256415)
Show SMILES COc1ccc2nc3CCCCc3c(N)c2c1
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

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%