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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 29395   
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
Cholinesterases


(Homo sapiens (Human))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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Article
PubMed
n/an/a 309n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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PubMed
n/an/a 309n/an/an/an/an/an/a



Laboratorio de Radicales Libres (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE


J Med Chem 49: 7607-10 (2006)


Article DOI: 10.1021/jm061047j
BindingDB Entry DOI: 10.7270/Q26T0M97
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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PC sid
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Laboratorio de Radicales Libres (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE


J Med Chem 49: 7607-10 (2006)


Article DOI: 10.1021/jm061047j
BindingDB Entry DOI: 10.7270/Q26T0M97
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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n/an/a 3.44E+4n/an/an/an/an/an/a



Laboratorio de Radicales Libres (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE


J Med Chem 49: 7607-10 (2006)


Article DOI: 10.1021/jm061047j
BindingDB Entry DOI: 10.7270/Q26T0M97
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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Article
PubMed
n/an/a 3.44E+4n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards BuChE was determined following the method of Ellman using BuChE from human serum and butyrylthiochol...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair