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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'ning' and Initial = 'x'   
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


(Electrophorus electricus (Electric eel))
BDBM50293451
PNG
(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1
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0.310n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309848
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309847
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309845
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...)
Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309837
PNG
(1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2
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10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309851
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-indol-1-yl)meth...)
Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2ccc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H27N3O/c28-24(27-16-12-22(18-27)25-13-3-4-14-25)21-9-7-19(8-10-21)17-26-15-11-20-5-1-2-6-23(20)26/h1-2,5-11,15,22H,3-4,12-14,16-18H2/t22-/m0/s1
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15n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309843
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-methyl-1H...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
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21.7n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309844
PNG
(1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2
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23n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309846
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...)
Show SMILES O=C(N1CC[C@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m1/s1
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27n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309839
PNG
((S)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m0/s1
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65n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309836
PNG
((3-(ethyl(methyl)amino)pyrrolidin-1-yl)(4-((2-phen...)
Show SMILES CCN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3
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91n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309835
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-phenyl-1H...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50293452
PNG
(1-methyl-1-(3-(7-oxo-7H-dibenzo[de,g]quinoline-4-c...)
Show SMILES C[N+]1(CCCNC(=O)c2cnc3C(=O)c4ccccc4-c4cccc2c34)CCCCC1
Show InChI InChI=1S/C26H27N3O2/c1-29(14-5-2-6-15-29)16-8-13-27-26(31)22-17-28-24-23-19(11-7-12-20(22)23)18-9-3-4-10-21(18)25(24)30/h3-4,7,9-12,17H,2,5-6,8,13-16H2,1H3/p+1
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110n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309853
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((5-chloro-1H-indol-...)
Show SMILES Clc1ccc2n(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)ccc2c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-21-7-8-23-20(15-21)9-13-27(23)16-18-3-5-19(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309852
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((6-chloro-1H-indol-...)
Show SMILES Clc1ccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c2c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-21-8-7-19-9-13-27(23(19)15-21)16-18-3-5-20(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1
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150n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309841
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-(pyridin-...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C26H27N5O/c1-29(2)21-14-16-30(18-21)26(32)20-12-10-19(11-13-20)17-31-24-9-4-3-7-22(24)28-25(31)23-8-5-6-15-27-23/h3-13,15,21H,14,16-18H2,1-2H3
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235n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309842
PNG
((4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)(3-(di...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4O/c1-23(2)18-11-12-24(14-18)21(26)17-9-7-16(8-10-17)13-25-15-22-19-5-3-4-6-20(19)25/h3-10,15,18H,11-14H2,1-2H3
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390n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309849
PNG
(1,3'-bipyrrolidin-1'-yl(3-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C23H26N4O/c28-23(26-13-10-20(16-26)25-11-3-4-12-25)19-7-5-6-18(14-19)15-27-17-24-21-8-1-2-9-22(21)27/h1-2,5-9,14,17,20H,3-4,10-13,15-16H2
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400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309840
PNG
((R)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m1/s1
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440n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309838
PNG
((3-((2-hydroxyethyl)(methyl)amino)pyrrolidin-1-yl)...)
Show SMILES CN(CCO)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-30(17-18-33)24-15-16-31(20-24)28(34)23-13-11-21(12-14-23)19-32-26-10-6-5-9-25(26)29-27(32)22-7-3-2-4-8-22/h2-14,24,33H,15-20H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
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3.86E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309850
PNG
(1,3'-bipyrrolidin-1'-yl(2-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccccc1Cn1cnc2ccccc12
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-19(16-26)25-12-5-6-13-25)20-8-2-1-7-18(20)15-27-17-24-21-9-3-4-10-22(21)27/h1-4,7-10,17,19H,5-6,11-16H2
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4.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50293443
PNG
(7-Oxo-7H-dibenzo[de,g]quinoline | CHEMBL559502)
Show SMILES O=C1c2ccccc2-c2cccc3ccnc1c23
Show InChI InChI=1S/C16H9NO/c18-16-13-6-2-1-5-11(13)12-7-3-4-10-8-9-17-15(16)14(10)12/h1-9H
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1.46E+4n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50293451
PNG
(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1
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n/an/a 0.480n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211239
PNG
(1-methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C24H23N3O2/c1-27(12-2-3-13-27)14-10-21(28)26-17-7-8-18-20(15-17)24(29)19-6-4-5-16-9-11-25-23(18)22(16)19/h4-9,11,15H,2-3,10,12-14H2,1H3/p+1
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n/an/a 1.06n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211252
PNG
(1-methyl-1-[(7-oxo-7H-1-aza-benzo[de]anthracen-9-y...)
Show SMILES C[N+]1(CC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C23H21N3O2/c1-26(11-2-3-12-26)14-20(27)25-16-7-8-17-19(13-16)23(28)18-6-4-5-15-9-10-24-22(17)21(15)18/h4-10,13H,2-3,11-12,14H2,1H3/p+1
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n/an/a 1.08n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211241
PNG
(9-[3-Pyrrolidinopropionamido]-1-azabenzanthrone | ...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H21N3O2/c27-20(9-13-26-11-1-2-12-26)25-16-6-7-17-19(14-16)23(28)18-5-3-4-15-8-10-24-22(17)21(15)18/h3-8,10,14H,1-2,9,11-13H2,(H,25,27)
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n/an/a 2.47n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211250
PNG
(1-methyl-1-[3-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-2-3-14-28)15-5-8-22(29)27-18-9-10-19-21(16-18)25(30)20-7-4-6-17-11-12-26-24(19)23(17)20/h4,6-7,9-12,16H,2-3,5,8,13-15H2,1H3/p+1
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n/an/a 2.51n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50293446
PNG
(CHEMBL556249 | Diethyl-methyl-[2-(7-oxo-7H-1-aza-b...)
Show SMILES CC[N+](C)(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C24H25N3O2/c1-4-27(3,5-2)14-12-21(28)26-17-9-10-18-20(15-17)24(29)19-8-6-7-16-11-13-25-23(18)22(16)19/h6-11,13,15H,4-5,12,14H2,1-3H3/p+1
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n/an/a 2.62n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50371216
PNG
(CHEMBL554252)
Show SMILES CC[N+](C)(CC)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C25H27N3O2/c1-4-28(3,5-2)15-7-10-22(29)27-18-11-12-19-21(16-18)25(30)20-9-6-8-17-13-14-26-24(19)23(17)20/h6,8-9,11-14,16H,4-5,7,10,15H2,1-3H3/p+1
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n/an/a 2.62n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211253
PNG
(CHEMBL245668 | trimethyl-[3-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H23N3O2/c1-26(2,3)13-5-8-20(27)25-16-9-10-17-19(14-16)23(28)18-7-4-6-15-11-12-24-22(17)21(15)18/h4,6-7,9-12,14H,5,8,13H2,1-3H3/p+1
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n/an/a 4.79n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211244
PNG
(CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1
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n/an/a 4.81n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211244
PNG
(CHEMBL395926 | Trimethyl-[2-(7-oxo-7H-1-aza-benzo[...)
Show SMILES C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H21N3O2/c1-25(2,3)12-10-19(26)24-15-7-8-16-18(13-15)22(27)17-6-4-5-14-9-11-23-21(16)20(14)17/h4-9,11,13H,10,12H2,1-3H3/p+1
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n/an/a 4.81n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211254
PNG
(9-(Pyrrolidinoacetamido)-1-azabenzanthrone | CHEMB...)
Show SMILES O=C(CN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H19N3O2/c26-19(13-25-10-1-2-11-25)24-15-6-7-16-18(12-15)22(27)17-5-3-4-14-8-9-23-21(16)20(14)17/h3-9,12H,1-2,10-11,13H2,(H,24,26)
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n/an/a 6.18n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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)
PDB

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n/an/a 11n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by Ellman's method


Eur J Med Chem 46: 1572-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.005
BindingDB Entry DOI: 10.7270/Q2TM7BFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211251
PNG
(3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrace...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C23H23N3O2/c1-3-26(4-2)13-11-20(27)25-16-8-9-17-19(14-16)23(28)18-7-5-6-15-10-12-24-22(17)21(15)18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)
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n/an/a 11.6n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50177595
PNG
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonism of OT-induced response at OT receptor in rat uterine strips


Bioorg Med Chem Lett 16: 954-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211238
PNG
(9-(4-Pyrrolidinobutyramido)-1-azabenzanthrone | CH...)
Show SMILES O=C(CCCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C24H23N3O2/c28-21(7-4-14-27-12-1-2-13-27)26-17-8-9-18-20(15-17)24(29)19-6-3-5-16-10-11-25-23(18)22(16)19/h3,5-6,8-11,15H,1-2,4,7,12-14H2,(H,26,28)
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n/an/a 12.1n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211248
PNG
(CHEMBL428575 | trimethyl-[(7-oxo-7H-1-aza-benzo[de...)
Show SMILES C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C21H19N3O2/c1-24(2,3)12-18(25)23-14-7-8-15-17(11-14)21(26)16-6-4-5-13-9-10-22-20(15)19(13)16/h4-11H,12H2,1-3H3/p+1
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n/an/a 14.9n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50342765
PNG
(4-(3-(Piperidin-1-yl)propoxy)-7H-dibenzo[de,h]quin...)
Show SMILES O=C1c2ccccc2-c2nccc3c(OCCCN4CCCCC4)ccc1c23
Show InChI InChI=1S/C24H24N2O2/c27-24-18-8-3-2-7-17(18)23-22-19(11-12-25-23)21(10-9-20(22)24)28-16-6-15-26-13-4-1-5-14-26/h2-3,7-12H,1,4-6,13-16H2
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n/an/a 22n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 46: 1572-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.005
BindingDB Entry DOI: 10.7270/Q2TM7BFW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211242
PNG
(4-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrac...)
Show SMILES CN(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C22H21N3O2/c1-25(2)12-4-7-19(26)24-15-8-9-16-18(13-15)22(27)17-6-3-5-14-10-11-23-21(16)20(14)17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,26)
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n/an/a 30.5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211243
PNG
(3-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrac...)
Show SMILES CN(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C21H19N3O2/c1-24(2)11-9-18(25)23-14-6-7-15-17(12-14)21(26)16-5-3-4-13-8-10-22-20(15)19(13)16/h3-8,10,12H,9,11H2,1-2H3,(H,23,25)
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n/an/a 33.9n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50342763
PNG
(4-(3-(Diethylamino)propoxy)-7H-dibenzo[de,h]quinol...)
Show SMILES CCN(CC)CCCOc1ccc2C(=O)c3ccccc3-c3nccc1c23
Show InChI InChI=1S/C23H24N2O2/c1-3-25(4-2)14-7-15-27-20-11-10-19-21-18(20)12-13-24-22(21)16-8-5-6-9-17(16)23(19)26/h5-6,8-13H,3-4,7,14-15H2,1-2H3
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n/an/a 34.3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 46: 1572-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.005
BindingDB Entry DOI: 10.7270/Q2TM7BFW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211245
PNG
(3-(2-hydroxy-ethylamino)-N-(7-oxo-7H-1-aza-benzo[d...)
Show SMILES OCCNCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C21H19N3O3/c25-11-10-22-8-7-18(26)24-14-4-5-15-17(12-14)21(27)16-3-1-2-13-6-9-23-20(15)19(13)16/h1-6,9,12,22,25H,7-8,10-11H2,(H,24,26)
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n/an/a 55.1n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells


Bioorg Med Chem Lett 16: 954-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50342764
PNG
(4-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quino...)
Show SMILES O=C1c2ccccc2-c2nccc3c(OCCN4CCCCC4)ccc1c23
Show InChI InChI=1S/C23H22N2O2/c26-23-17-7-3-2-6-16(17)22-21-18(10-11-24-22)20(9-8-19(21)23)27-15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2
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n/an/a 88n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 46: 1572-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.005
BindingDB Entry DOI: 10.7270/Q2TM7BFW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50177599
PNG
(CHEMBL202447 | [2-chloro-4-(3-methyl-pyrazol-1-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H18ClN5O/c1-15-10-12-29(27-15)17-8-9-18(19(24)13-17)23(30)28-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)28/h2-13H,14H2,1H3,(H,25,26)
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n/an/a 91.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells


Bioorg Med Chem Lett 16: 954-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50342761
PNG
(1-methyl-1-(2-(7-oxo-7H-dibenzo[de,h]quinolin-3-yl...)
Show SMILES C[N+]1(CCOc2cnc3-c4ccccc4C(=O)c4cccc2c34)CCCCC1
Show InChI InChI=1S/C24H25N2O2/c1-26(12-5-2-6-13-26)14-15-28-21-16-25-23-17-8-3-4-9-18(17)24(27)20-11-7-10-19(21)22(20)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3/q+1
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n/an/a 95n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


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


Eur J Med Chem 46: 1572-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.005
BindingDB Entry DOI: 10.7270/Q2TM7BFW
More data for this
Ligand-Target Pair
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