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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50027140   
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


(Homo sapiens (human))
BDBM50265253
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H29N5O/c27-21(15-17-16-30-22-10-4-1-7-18(17)22)26(32)29-14-13-28-25-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)25/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,27H2,(H,28,31)(H,29,32)/t21-/m0/s1
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1.33n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM8971
PNG
(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
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1.65n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265256
PNG
((S)-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethy...)
Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H48N6O/c45-38(41-23-11-1-10-22-39-36-27-13-2-6-17-31(27)42-32-18-7-3-14-28(32)36)35-21-12-25-44(35)26-24-40-37-29-15-4-8-19-33(29)43-34-20-9-5-16-30(34)37/h2,4,6,8,13,15,17,19,35H,1,3,5,7,9-12,14,16,18,20-26H2,(H,39,42)(H,40,43)(H,41,45)/t35-/m0/s1
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1.77n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265252
PNG
((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H37N5O3/c1-31(2,3)39-30(38)36-27(18-20-19-34-24-13-7-4-10-21(20)24)29(37)33-17-16-32-28-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)28/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,32,35)(H,33,37)(H,36,38)/t27-/m0/s1
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1.87n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265255
PNG
((S)-2-amino-N1,N5-bis(2-(1,2,3,4-tetrahydroacridin...)
Show SMILES N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N7O2/c36-27(35(44)40-22-21-39-34-25-11-3-7-15-30(25)42-31-16-8-4-12-26(31)34)17-18-32(43)37-19-20-38-33-23-9-1-5-13-28(23)41-29-14-6-2-10-24(29)33/h1,3,5,7,9,11,13,15,27H,2,4,6,8,10,12,14,16-22,36H2,(H,37,43)(H,38,41)(H,39,42)(H,40,44)/t27-/m0/s1
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6.21n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265256
PNG
((S)-1-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethy...)
Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1CCCN1CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H48N6O/c45-38(41-23-11-1-10-22-39-36-27-13-2-6-17-31(27)42-32-18-7-3-14-28(32)36)35-21-12-25-44(35)26-24-40-37-29-15-4-8-19-33(29)43-34-20-9-5-16-30(34)37/h2,4,6,8,13,15,17,19,35H,1,3,5,7,9-12,14,16,18,20-26H2,(H,39,42)(H,40,43)(H,41,45)/t35-/m0/s1
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6.75n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
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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7n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (human))
BDBM50265254
PNG
((S)-tert-butyl 1,5-dioxo-1,5-bis(2-(1,2,3,4-tetrah...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H51N7O4/c1-40(2,3)51-39(50)47-34(38(49)44-25-24-43-37-28-14-6-10-18-32(28)46-33-19-11-7-15-29(33)37)20-21-35(48)41-22-23-42-36-26-12-4-8-16-30(26)45-31-17-9-5-13-27(31)36/h4,6,8,10,12,14,16,18,34H,5,7,9,11,13,15,17,19-25H2,1-3H3,(H,41,48)(H,42,45)(H,43,46)(H,44,49)(H,47,50)/t34-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265254
PNG
((S)-tert-butyl 1,5-dioxo-1,5-bis(2-(1,2,3,4-tetrah...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H51N7O4/c1-40(2,3)51-39(50)47-34(38(49)44-25-24-43-37-28-14-6-10-18-32(28)46-33-19-11-7-15-29(33)37)20-21-35(48)41-22-23-42-36-26-12-4-8-16-30(26)45-31-17-9-5-13-27(31)36/h4,6,8,10,12,14,16,18,34H,5,7,9,11,13,15,17,19-25H2,1-3H3,(H,41,48)(H,42,45)(H,43,46)(H,44,49)(H,47,50)/t34-/m0/s1
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15.4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265255
PNG
((S)-2-amino-N1,N5-bis(2-(1,2,3,4-tetrahydroacridin...)
Show SMILES N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N7O2/c36-27(35(44)40-22-21-39-34-25-11-3-7-15-30(25)42-31-16-8-4-12-26(31)34)17-18-32(43)37-19-20-38-33-23-9-1-5-13-28(23)41-29-14-6-2-10-24(29)33/h1,3,5,7,9,11,13,15,27H,2,4,6,8,10,12,14,16-22,36H2,(H,37,43)(H,38,41)(H,39,42)(H,40,44)/t27-/m0/s1
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25.1n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM8971
PNG
(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
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27.9n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
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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36n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265252
PNG
((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(2-(1,2,3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H37N5O3/c1-31(2,3)39-30(38)36-27(18-20-19-34-24-13-7-4-10-21(20)24)29(37)33-17-16-32-28-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)28/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,32,35)(H,33,37)(H,36,38)/t27-/m0/s1
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130n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265251
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(3-oxo-3-(1,2,3,4-...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H29N5O2/c28-21(15-17-16-30-22-10-4-1-7-18(17)22)27(34)29-14-13-25(33)32-26-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)26/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,28H2,(H,29,34)(H,31,32,33)/t21-/m0/s1
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173n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265194
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-(1,2,3,4-...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H27N5O2/c27-20(13-16-14-28-21-10-4-1-7-17(16)21)26(33)29-15-24(32)31-25-18-8-2-5-11-22(18)30-23-12-6-3-9-19(23)25/h1-2,4-5,7-8,10-11,14,20,28H,3,6,9,12-13,15,27H2,(H,29,33)(H,30,31,32)/t20-/m0/s1
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251n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265191
PNG
((S)-2-amino-3-(naphthalen-2-yl)-N-(2-oxo-2-(1,2,3,...)
Show SMILES N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N4O2/c29-23(16-18-13-14-19-7-1-2-8-20(19)15-18)28(34)30-17-26(33)32-27-21-9-3-5-11-24(21)31-25-12-6-4-10-22(25)27/h1-3,5,7-9,11,13-15,23H,4,6,10,12,16-17,29H2,(H,30,34)(H,31,32,33)/t23-/m0/s1
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252n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265253
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H29N5O/c27-21(15-17-16-30-22-10-4-1-7-18(17)22)26(32)29-14-13-28-25-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)25/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,27H2,(H,28,31)(H,29,32)/t21-/m0/s1
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280n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265250
PNG
((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(3-oxo-3-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O4/c1-32(2,3)41-31(40)36-27(18-20-19-34-24-13-7-4-10-21(20)24)30(39)33-17-16-28(38)37-29-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)29/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,33,39)(H,36,40)(H,35,37,38)/t27-/m0/s1
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443n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265192
PNG
((S)-N-(2-oxo-2-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H26N4O2/c30-23(15-27-25(31)22-13-16-7-1-2-8-17(16)14-26-22)29-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,22,26H,4,6,10,12-15H2,(H,27,31)(H,28,29,30)/t22-/m0/s1
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580n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265193
PNG
((S)-2-amino-N-(2-oxo-2-(1,2,3,4-tetrahydroacridin-...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26N4O2/c25-19(14-16-8-2-1-3-9-16)24(30)26-15-22(29)28-23-17-10-4-6-12-20(17)27-21-13-7-5-11-18(21)23/h1-4,6,8-10,12,19H,5,7,11,13-15,25H2,(H,26,30)(H,27,28,29)/t19-/m0/s1
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708n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265152
PNG
((S)-2-(methylamino)-N-(2-oxo-2-(1,2,3,4-tetrahydro...)
Show SMILES CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-26-22(15-17-9-3-2-4-10-17)25(31)27-16-23(30)29-24-18-11-5-7-13-20(18)28-21-14-8-6-12-19(21)24/h2-5,7,9-11,13,22,26H,6,8,12,14-16H2,1H3,(H,27,31)(H,28,29,30)/t22-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50265249
PNG
((S)-3-(1H-indol-3-yl)-2-(methylamino)-N-(2-oxo-2-(...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H29N5O2/c1-28-24(14-17-15-29-21-11-5-2-8-18(17)21)27(34)30-16-25(33)32-26-19-9-3-6-12-22(19)31-23-13-7-4-10-20(23)26/h2-3,5-6,8-9,11-12,15,24,28-29H,4,7,10,13-14,16H2,1H3,(H,30,34)(H,31,32,33)/t24-/m0/s1
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1.76E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265193
PNG
((S)-2-amino-N-(2-oxo-2-(1,2,3,4-tetrahydroacridin-...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26N4O2/c25-19(14-16-8-2-1-3-9-16)24(30)26-15-22(29)28-23-17-10-4-6-12-20(17)27-21-13-7-5-11-18(21)23/h1-4,6,8-10,12,19H,5,7,11,13-15,25H2,(H,26,30)(H,27,28,29)/t19-/m0/s1
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1.91E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265194
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-(1,2,3,4-...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H27N5O2/c27-20(13-16-14-28-21-10-4-1-7-17(16)21)26(33)29-15-24(32)31-25-18-8-2-5-11-22(18)30-23-12-6-3-9-19(23)25/h1-2,4-5,7-8,10-11,14,20,28H,3,6,9,12-13,15,27H2,(H,29,33)(H,30,31,32)/t20-/m0/s1
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2.21E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265249
PNG
((S)-3-(1H-indol-3-yl)-2-(methylamino)-N-(2-oxo-2-(...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H29N5O2/c1-28-24(14-17-15-29-21-11-5-2-8-18(17)21)27(34)30-16-25(33)32-26-19-9-3-6-12-22(19)31-23-13-7-4-10-20(23)26/h2-3,5-6,8-9,11-12,15,24,28-29H,4,7,10,13-14,16H2,1H3,(H,30,34)(H,31,32,33)/t24-/m0/s1
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3.33E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265192
PNG
((S)-N-(2-oxo-2-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H26N4O2/c30-23(15-27-25(31)22-13-16-7-1-2-8-17(16)14-26-22)29-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,22,26H,4,6,10,12-15H2,(H,27,31)(H,28,29,30)/t22-/m0/s1
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4.13E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265152
PNG
((S)-2-(methylamino)-N-(2-oxo-2-(1,2,3,4-tetrahydro...)
Show SMILES CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H28N4O2/c1-26-22(15-17-9-3-2-4-10-17)25(31)27-16-23(30)29-24-18-11-5-7-13-20(18)28-21-14-8-6-12-19(21)24/h2-5,7,9-11,13,22,26H,6,8,12,14-16H2,1H3,(H,27,31)(H,28,29,30)/t22-/m0/s1
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6.32E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265250
PNG
((S)-tert-butyl 3-(1H-indol-3-yl)-1-oxo-1-(3-oxo-3-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O4/c1-32(2,3)41-31(40)36-27(18-20-19-34-24-13-7-4-10-21(20)24)30(39)33-17-16-28(38)37-29-22-11-5-8-14-25(22)35-26-15-9-6-12-23(26)29/h4-5,7-8,10-11,13-14,19,27,34H,6,9,12,15-18H2,1-3H3,(H,33,39)(H,36,40)(H,35,37,38)/t27-/m0/s1
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7.97E+3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265191
PNG
((S)-2-amino-3-(naphthalen-2-yl)-N-(2-oxo-2-(1,2,3,...)
Show SMILES N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N4O2/c29-23(16-18-13-14-19-7-1-2-8-20(19)15-18)28(34)30-17-26(33)32-27-21-9-3-5-11-24(21)31-25-12-6-4-10-22(25)27/h1-3,5,7-9,11,13-15,23H,4,6,10,12,16-17,29H2,(H,30,34)(H,31,32,33)/t23-/m0/s1
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1.12E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50265251
PNG
((S)-2-amino-3-(1H-indol-3-yl)-N-(3-oxo-3-(1,2,3,4-...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H29N5O2/c28-21(15-17-16-30-22-10-4-1-7-18(17)22)27(34)29-14-13-25(33)32-26-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)26/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,28H2,(H,29,34)(H,31,32,33)/t21-/m0/s1
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3.40E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


Bioorg Med Chem Lett 18: 5213-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.076
BindingDB Entry DOI: 10.7270/Q29W0F9S
More data for this
Ligand-Target Pair