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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'ellmerer' and Initial = 'ep'   
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


(Equus caballus (Horse))
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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n/an/a 40n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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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n/an/a 220n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50241808
PNG
(CHEMBL470867 | taspine | {1-(2-dimethylaminoethyl)...)
Show SMILES COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31
Show InChI InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
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n/an/a 330n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241808
PNG
(CHEMBL470867 | taspine | {1-(2-dimethylaminoethyl)...)
Show SMILES COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31
Show InChI InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
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n/an/a 540n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50241809
PNG
((-)-asimilobine | CHEMBL469423 | [1-methoxy-5,6,6a...)
Show SMILES COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 |r|
Show InChI InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241809
PNG
((-)-asimilobine | CHEMBL469423 | [1-methoxy-5,6,6a...)
Show SMILES COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 |r|
Show InChI InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50241808
PNG
(CHEMBL470867 | taspine | {1-(2-dimethylaminoethyl)...)
Show SMILES COc1ccc2c3c1oc(=O)c1c(CCN(C)C)cc(OC)c(oc2=O)c31
Show InChI InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by Ellman's method


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50241809
PNG
((-)-asimilobine | CHEMBL469423 | [1-methoxy-5,6,6a...)
Show SMILES COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 |r|
Show InChI InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Leopold Franzens-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's assay


J Nat Prod 69: 1341-6 (2006)


Article DOI: 10.1021/np060268p
BindingDB Entry DOI: 10.7270/Q2G161QD
More data for this
Ligand-Target Pair