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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50052410'   
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


(Rattus norvegicus (rat))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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Article
PubMed
n/an/a 411n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in rat red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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Article
PubMed
n/an/a 476n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in monkey red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
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Article
PubMed
n/an/a 521n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in human red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50052410
PNG
(9-Amino-1,2,3,4-tetrahydro-acridin-4-ol | CHEMBL31...)
Show SMILES Nc1c2CCCC(O)c2nc2ccccc12
Show InChI InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,11,16H,3,5,7H2,(H2,14,15)
PDB
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KEGG

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UniChem

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Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acetylcholinesterase in mouse red blood cell


J Med Chem 39: 3014-8 (1996)


Article DOI: 10.1021/jm9602266
BindingDB Entry DOI: 10.7270/Q20V8BVM
More data for this
Ligand-Target Pair