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PubMed code 19954865

Compile data set for download or QSAR
Found 10 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


(Rattus norvegicus (rat))
BDBM50300153
PNG
((2R)-9-amino-2-methyl-2,3-dihydro-1H-cyclopenta[b]...)
Show SMILES C[C@H]1Cc2nc3ccccc3c(N)c2C1 |r|
Show InChI InChI=1S/C13H14N2/c1-8-6-10-12(7-8)15-11-5-3-2-4-9(11)13(10)14/h2-5,8H,6-7H2,1H3,(H2,14,15)/t8-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
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)
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Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300154
PNG
((9R)-11-amino-6,6,9-trimethyl-9,10-dihydro-6H-cycl...)
Show SMILES C[C@@H]1Cc2c(N)c3ccccc3nc2C(C)(C)C(=O)C1 |r|
Show InChI InChI=1S/C17H20N2O/c1-10-8-12-15(18)11-6-4-5-7-13(11)19-16(12)17(2,3)14(20)9-10/h4-7,10H,8-9H2,1-3H3,(H2,18,19)/t10-/m1/s1
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n/an/a 288n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300150
PNG
((3S)-9-amino-3-isopropyl-1,2,3,4-tetrahydroacridin...)
Show SMILES CC(C)[C@H]1CCc2c(C1)nc1ccccc1c2N |r|
Show InChI InChI=1S/C16H20N2/c1-10(2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)16(13)17/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18)/t11-/m0/s1
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n/an/a 816n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300155
PNG
((1S,4R)-9-amino-4-tert-butyl-1-methyl-1,2,3,4-tetr...)
Show SMILES C[C@H]1CC[C@@H](c2nc3ccccc3c(N)c12)C(C)(C)C |r|
Show InChI InChI=1S/C18H24N2/c1-11-9-10-13(18(2,3)4)17-15(11)16(19)12-7-5-6-8-14(12)20-17/h5-8,11,13H,9-10H2,1-4H3,(H2,19,20)/t11-,13-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300151
PNG
((3R)-9-amino-3-methyl-1,2,3,4-tetrahydroacridine |...)
Show SMILES C[C@@H]1CCc2c(C1)nc1ccccc1c2N |r|
Show InChI InChI=1S/C14H16N2/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h2-5,9H,6-8H2,1H3,(H2,15,16)/t9-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300157
PNG
((2R,4R)-9-amino-2,4-methano-3,3-dimethyl-1,2,3,4-t...)
Show SMILES CC1(C)[C@@H]2C[C@H]1c1nc3ccccc3c(N)c1C2 |r|
Show InChI InChI=1S/C16H18N2/c1-16(2)9-7-11-14(17)10-5-3-4-6-13(10)18-15(11)12(16)8-9/h3-6,9,12H,7-8H2,1-2H3,(H2,17,18)/t9-,12-/m0/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300152
PNG
((2S)-9-Amino-2-isopropyl-2,3-dihydro-1H-cyclopenta...)
Show SMILES CC(C)[C@@H]1Cc2nc3ccccc3c(N)c2C1 |r|
Show InChI InChI=1S/C15H18N2/c1-9(2)10-7-12-14(8-10)17-13-6-4-3-5-11(13)15(12)16/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17)/t10-/m0/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300158
PNG
((1S,2S,4S)-9-Amino-2,4-methano-1,3,3-trimethyl-1,2...)
Show SMILES C[C@H]1[C@@H]2C[C@H](c3nc4ccccc4c(N)c13)C2(C)C |r|
Show InChI InChI=1S/C17H20N2/c1-9-11-8-12(17(11,2)3)16-14(9)15(18)10-6-4-5-7-13(10)19-16/h4-7,9,11-12H,8H2,1-3H3,(H2,18,19)/t9-,11-,12+/m0/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50300156
PNG
((1R,4R)-9-amino-1,4-diisopropyl-1,2,3,4-tetrahydro...)
Show SMILES CC(C)[C@H]1CC[C@H](C(C)C)c2c(N)c3ccccc3nc12 |r|
Show InChI InChI=1S/C19H26N2/c1-11(2)13-9-10-14(12(3)4)19-17(13)18(20)15-7-5-6-8-16(15)21-19/h5-8,11-14H,9-10H2,1-4H3,(H2,20,21)/t13-,14-/m1/s1
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n/an/a 7.22E+3n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex by Ellman assay


Eur J Med Chem 45: 526-35 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.039
BindingDB Entry DOI: 10.7270/Q27W6C85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%