BindingDB logo
myBDB logout

PubMed code 20801550

Compile data set for download or QSAR
Found 9 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
Cholinesterase


(Homo sapiens (Human))
BDBM50330375
PNG
(CHEMBL1276567 | N-Benzoyl-N',N''-bis(4-aminopiperi...)
Show SMILES O=C(NP(=O)(NN1CCCCC1)NN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H28N5O2P/c23-17(16-10-4-1-5-11-16)18-25(24,19-21-12-6-2-7-13-21)20-22-14-8-3-9-15-22/h1,4-5,10-11H,2-3,6-9,12-15H2,(H3,18,19,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+5n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50330376
PNG
(CHEMBL1275924 | Phenyl-N-(4-aminopiperidine)phosph...)
Show SMILES OP(=O)(NN1CCCCC1)Oc1ccccc1
Show InChI InChI=1S/C11H17N2O3P/c14-17(15,12-13-9-5-2-6-10-13)16-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50330373
PNG
(CHEMBL1276594 | N,N'-Bis(4-aminomorpholine)phospho...)
Show SMILES O=P(NN1CCOCC1)(NN1CCOCC1)Oc1ccccc1
Show InChI InChI=1S/C14H23N4O4P/c19-23(15-17-6-10-20-11-7-17,16-18-8-12-21-13-9-18)22-14-4-2-1-3-5-14/h1-5H,6-13H2,(H2,15,16,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.62E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50330375
PNG
(CHEMBL1276567 | N-Benzoyl-N',N''-bis(4-aminopiperi...)
Show SMILES O=C(NP(=O)(NN1CCCCC1)NN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H28N5O2P/c23-17(16-10-4-1-5-11-16)18-25(24,19-21-12-6-2-7-13-21)20-22-14-8-3-9-15-22/h1,4-5,10-11H,2-3,6-9,12-15H2,(H3,18,19,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.95E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50330374
PNG
(CHEMBL1276534 | N-Benzoyl-N',N''-bis(4-aminomorpho...)
Show SMILES O=C(NP(=O)(NN1CCOCC1)NN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C15H24N5O4P/c21-15(14-4-2-1-3-5-14)16-25(22,17-19-6-10-23-11-7-19)18-20-8-12-24-13-9-20/h1-5H,6-13H2,(H3,16,17,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50330377
PNG
(CHEMBL1276568 | N,N'-Bis(4-aminomorpholine)phenylp...)
Show SMILES O=P(NN1CCOCC1)(NN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C14H23N4O3P/c19-22(14-4-2-1-3-5-14,15-17-6-10-20-11-7-17)16-18-8-12-21-13-9-18/h1-5H,6-13H2,(H2,15,16,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.45E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50330376
PNG
(CHEMBL1275924 | Phenyl-N-(4-aminopiperidine)phosph...)
Show SMILES OP(=O)(NN1CCCCC1)Oc1ccccc1
Show InChI InChI=1S/C11H17N2O3P/c14-17(15,12-13-9-5-2-6-10-13)16-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,12,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.49E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50330373
PNG
(CHEMBL1276594 | N,N'-Bis(4-aminomorpholine)phospho...)
Show SMILES O=P(NN1CCOCC1)(NN1CCOCC1)Oc1ccccc1
Show InChI InChI=1S/C14H23N4O4P/c19-23(15-17-6-10-20-11-7-17,16-18-8-12-21-13-9-18)22-14-4-2-1-3-5-14/h1-5H,6-13H2,(H2,15,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.55E+6n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50330374
PNG
(CHEMBL1276534 | N-Benzoyl-N',N''-bis(4-aminomorpho...)
Show SMILES O=C(NP(=O)(NN1CCOCC1)NN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C15H24N5O4P/c21-15(14-4-2-1-3-5-14)16-25(22,17-19-6-10-23-11-7-19)18-20-8-12-24-13-9-20/h1-5H,6-13H2,(H3,16,17,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.86E+7n/an/an/an/an/an/a



Tarbiat Modares University

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman method


Eur J Med Chem 45: 5130-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.025
BindingDB Entry DOI: 10.7270/Q2HQ404T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%