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Compile Data Set for Download or QSAR

Found 133 hits from Charles University in Prague   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM50336116
PNG
(Ambenonium dichloride | CHEMBL1669479)
Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2
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5n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50336116
PNG
(Ambenonium dichloride | CHEMBL1669479)
Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2
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6n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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10n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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20n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10624
PNG
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
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50n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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400n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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400n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10624
PNG
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
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800n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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4.80E+3n/an/an/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 0.508n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity a...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50336116
PNG
(Ambenonium dichloride | CHEMBL1669479)
Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2
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n/an/a 0.700n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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n/an/a 4.70n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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n/an/a 5n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 9.27n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 10.7n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by lu...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005116
PNG
(CHEMBL3093803)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/p-2
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n/an/a 17n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005181
PNG
(CHEMBL3093797)
Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-17-25-18-12-7-13-19-25)2-4-6-11-20-26-21-16-23-14-8-9-15-24(23)22-26;;/h7-9,12-16,18-19,21-22H,1-6,10-11,17,20H2;2*1H/q+2;;/p-2
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n/an/a 20n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 21.0n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by l...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
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 23n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005180
PNG
(CHEMBL3093798)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-18-26-19-13-8-14-20-26)3-5-7-12-21-27-22-17-24-15-9-10-16-25(24)23-27;;/h8-10,13-17,19-20,22-23H,1-7,11-12,18,21H2;2*1H/q+2;;/p-2
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n/an/a 30n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10624
PNG
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)
Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2
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n/an/a 30n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005182
PNG
(CHEMBL3093796)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-16-24-17-11-6-12-18-24)3-5-10-19-25-20-15-22-13-7-8-14-23(22)21-25;;/h6-8,11-15,17-18,20-21H,1-5,9-10,16,19H2;2*1H/q+2;;/p-2
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n/an/a 40n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50327936
PNG
(CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12
Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50327935
PNG
(CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...)
Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12
Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)
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n/an/a 100n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005119
PNG
(CHEMBL3093801)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2
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n/an/a 120n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005184
PNG
(CHEMBL3093795)
Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccccc1
Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-15-23-16-10-5-11-17-23)2-4-9-18-24-19-14-21-12-6-7-13-22(21)20-24;;/h5-7,10-14,16-17,19-20H,1-4,8-9,15,18H2;2*1H/q+2;;/p-2
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n/an/a 140n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50327936
PNG
(CHEMBL1257767 | CHEMBL1618106 | N-n-heptyl-7-metho...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2ccc(OC)cc12
Show InChI InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-13-12-16(24-2)15-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
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n/an/a 270n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005171
PNG
(CHEMBL3093800)
Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1
Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/p-2
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n/an/a 270n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005182
PNG
(CHEMBL3093796)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-16-24-17-11-6-12-18-24)3-5-10-19-25-20-15-22-13-7-8-14-23(22)21-25;;/h6-8,11-15,17-18,20-21H,1-5,9-10,16,19H2;2*1H/q+2;;/p-2
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n/an/a 350n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005181
PNG
(CHEMBL3093797)
Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-17-25-18-12-7-13-19-25)2-4-6-11-20-26-21-16-23-14-8-9-15-24(23)22-26;;/h7-9,12-16,18-19,21-22H,1-6,10-11,17,20H2;2*1H/q+2;;/p-2
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n/an/a 370n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
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 500n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005179
PNG
(CHEMBL3093799)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/p-2
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n/an/a 540n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005114
PNG
(CHEMBL3093804)
Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1
Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2
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n/an/a 680n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005180
PNG
(CHEMBL3093798)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-18-26-19-13-8-14-20-26)3-5-7-12-21-27-22-17-24-15-9-10-16-25(24)23-27;;/h8-10,13-17,19-20,22-23H,1-7,11-12,18,21H2;2*1H/q+2;;/p-2
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n/an/a 700n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50005185
PNG
(CHEMBL3093794)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-14-22-15-9-4-10-16-22)3-8-17-23-18-13-20-11-5-6-12-21(20)19-23;;/h4-6,9-13,15-16,18-19H,1-3,7-8,14,17H2;2*1H/q+2;;/p-2
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n/an/a 800n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005116
PNG
(CHEMBL3093803)
Show SMILES C(CCCCC[n+]1ccccc1)CCCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C25H34N2.2BrH/c1(2-4-6-11-19-26-20-12-8-13-21-26)3-5-7-14-22-27-23-15-17-24-16-9-10-18-25(24)27;;/h8-10,12-13,15-18,20-21,23H,1-7,11,14,19,22H2;2*1H/q+2;;/p-2
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n/an/a 900n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM150745
PNG
(5-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenyl d...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl3NO5P/c1-3-24-27(23,25-4-2)26-16-9-11(18)5-7-13(16)17(22)21-12-6-8-14(19)15(20)10-12/h5-10H,3-4H2,1-2H3,(H,21,22)
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n/an/a 903n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005185
PNG
(CHEMBL3093794)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1ccc2ccccc2c1
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-14-22-15-9-4-10-16-22)3-8-17-23-18-13-20-11-5-6-12-21(20)19-23;;/h4-6,9-13,15-16,18-19H,1-3,7-8,14,17H2;2*1H/q+2;;/p-2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50327935
PNG
(CHEMBL1257885 | CHEMBL1618217 | N-n-hexyl-7-methox...)
Show SMILES CCCCCCNc1c2CCCCc2nc2ccc(OC)cc12
Show InChI InChI=1S/C20H28N2O/c1-3-4-5-8-13-21-20-16-9-6-7-10-18(16)22-19-12-11-15(23-2)14-17(19)20/h11-12,14H,3-10,13H2,1-2H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50356766
PNG
(CHEMBL1917825)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCC=C)c2c1
Show InChI InChI=1S/C19H24N2O/c1-3-4-7-12-20-19-15-8-5-6-9-17(15)21-18-11-10-14(22-2)13-16(18)19/h3,10-11,13H,1,4-9,12H2,2H3,(H,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005119
PNG
(CHEMBL3093801)
Show SMILES C(CCCC[n+]1ccccc1)CCCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H30N2.2BrH/c1(2-4-9-17-24-18-10-6-11-19-24)3-5-12-20-25-21-13-15-22-14-7-8-16-23(22)25;;/h6-8,10-11,13-16,18-19,21H,1-5,9,12,17,20H2;2*1H/q+2;;/p-2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM150740
PNG
(2-[(3-bromophenyl)carbamoyl]-5-chlorophenyl diethy...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H18BrClNO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005171
PNG
(CHEMBL3093800)
Show SMILES [Br-].[Br-].C(CCCC[n+]1cccc2ccccc12)CCC[n+]1ccccc1
Show InChI InChI=1S/C22H28N2.2BrH/c1(3-8-16-23-17-9-5-10-18-23)2-4-11-19-24-20-12-14-21-13-6-7-15-22(21)24;;/h5-7,9-10,12-15,17-18,20H,1-4,8,11,16,19H2;2*1H/q+2;;/p-2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50356766
PNG
(CHEMBL1917825)
Show SMILES COc1ccc2nc3CCCCc3c(NCCCC=C)c2c1
Show InChI InChI=1S/C19H24N2O/c1-3-4-7-12-20-19-15-8-5-6-9-17(15)21-18-11-10-14(22-2)13-16(18)19/h3,10-11,13H,1,4-9,12H2,2H3,(H,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method


Bioorg Med Chem Lett 21: 6563-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.042
BindingDB Entry DOI: 10.7270/Q2HD7W2Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005179
PNG
(CHEMBL3093799)
Show SMILES C(CCC[n+]1ccccc1)CCC[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H26N2.2BrH/c1(2-7-15-22-16-8-4-9-17-22)3-10-18-23-19-11-13-20-12-5-6-14-21(20)23;;/h4-6,8-9,11-14,16-17,19H,1-3,7,10,15,18H2;2*1H/q+2;;/p-2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/a 3.13E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity a...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50005115
PNG
(CHEMBL3093802)
Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1
Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE after 5 mins by Ellman's method


Bioorg Med Chem Lett 23: 6663-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.043
BindingDB Entry DOI: 10.7270/Q2ZG6TR6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM150746
PNG
(5-chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}p...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3NO5P/c1-3-26-29(25,27-4-2)28-16-11-13(19)8-9-15(16)17(24)23-14-7-5-6-12(10-14)18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM150739
PNG
(5-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl dieth...)
Show SMILES CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c1-3-23-26(22,24-4-2)25-16-11-13(19)8-9-15(16)17(21)20-14-7-5-6-12(18)10-14/h5-11H,3-4H2,1-2H3,(H,20,21)
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n/an/a 3.68E+3n/an/an/an/an/an/a



Charles University in Prague



Assay Description
The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, ...


Bioorg Chem 58: 48-52 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.005
BindingDB Entry DOI: 10.7270/Q26D5RQ1
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50417023
PNG
(CHEMBL1258901)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C24H27F7O2/c1-20-11-7-17-16-6-4-15(32)13-14(16)3-5-18(17)19(20)8-12-21(20,33)9-2-10-22(25,26)23(27,28)24(29,30)31/h2,4,6,9,13,17-19,32-33H,3,5,7-8,10-12H2,1H3/b9-2+/t17-,18-,19+,20+,21+/m1/s1
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n/an/a 3.81E+3n/an/an/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
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