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Compile Data Set for Download or QSAR

Found 376 hits with Last Name = 'robaa' and Initial = 'd'   
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
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
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10.3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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11.4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
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28.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313917
PNG
(6-Methyl-5,6,7,8,13,15-hexahydro-4H-indolo[4,3a,3-...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(CC1)c23
Show InChI InChI=1S/C20H22N2/c1-22-11-9-15-5-2-3-6-17(15)13-18-14-21-19-8-4-7-16(10-12-22)20(18)19/h2-8,14,21H,9-13H2,1H3
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42.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
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55.1n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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85.3n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50363967
PNG
(CHEMBL1949729)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1
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91.4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363967
PNG
(CHEMBL1949729)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1
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114n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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268n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50363963
PNG
(CHEMBL1949725)
Show SMILES C[C@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m0/s1
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304n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50363964
PNG
(CHEMBL1949726)
Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1
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389n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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400n/an/an/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of synthetic VMA-tagged p300 (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cells using H4-15 peptid...


J Med Chem 59: 1249-70 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313916
PNG
(7-Methyl-6,7,8,9,10,15-hexahydroindolo[2,3-f][3]be...)
Show SMILES CN1CCc2[nH]c3ccccc3c2Cc2ccccc2CC1
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3
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513n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363964
PNG
(CHEMBL1949726)
Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1
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640n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50363965
PNG
(CHEMBL1949727)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)
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657n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50363966
PNG
(CHEMBL1949728)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m1/s1
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681n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313913
PNG
(5,6,8,9,10,14c-Hexahydroindolo[3',2':3,4,]pyrido[2...)
Show SMILES C1Cc2[nH]c3ccccc3c2C2N1CCc1ccccc21
Show InChI InChI=1S/C19H18N2/c1-2-6-14-13(5-1)9-11-21-12-10-17-18(19(14)21)15-7-3-4-8-16(15)20-17/h1-8,19-20H,9-12H2
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1.48E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313914
PNG
(2,6,7,9,10,14b-Hexahydroindolo[3',4':3,4,5]azepino...)
Show SMILES C1Cc2ccccc2C2N1CCc1cccc3[nH]cc2c13
Show InChI InChI=1S/C19H18N2/c1-2-6-15-13(4-1)8-10-21-11-9-14-5-3-7-17-18(14)16(12-20-17)19(15)21/h1-7,12,19-20H,8-11H2
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1.53E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313914
PNG
(2,6,7,9,10,14b-Hexahydroindolo[3',4':3,4,5]azepino...)
Show SMILES C1Cc2ccccc2C2N1CCc1cccc3[nH]cc2c13
Show InChI InChI=1S/C19H18N2/c1-2-6-15-13(4-1)8-10-21-11-9-14-5-3-7-17-18(14)16(12-20-17)19(15)21/h1-7,12,19-20H,8-11H2
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1.84E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313913
PNG
(5,6,8,9,10,14c-Hexahydroindolo[3',2':3,4,]pyrido[2...)
Show SMILES C1Cc2[nH]c3ccccc3c2C2N1CCc1ccccc21
Show InChI InChI=1S/C19H18N2/c1-2-6-14-13(5-1)9-11-21-12-10-17-18(19(14)21)15-7-3-4-8-16(15)20-17/h1-8,19-20H,9-12H2
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2.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363967
PNG
(CHEMBL1949729)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1
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2.92E+3n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313914
PNG
(2,6,7,9,10,14b-Hexahydroindolo[3',4':3,4,5]azepino...)
Show SMILES C1Cc2ccccc2C2N1CCc1cccc3[nH]cc2c13
Show InChI InChI=1S/C19H18N2/c1-2-6-15-13(4-1)8-10-21-11-9-14-5-3-7-17-18(14)16(12-20-17)19(15)21/h1-7,12,19-20H,8-11H2
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4.46E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50363967
PNG
(CHEMBL1949729)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@H]1CO |r|
Show InChI InChI=1S/C21H24N2O/c1-23-11-10-15-6-2-3-7-16(15)12-21-19(13-17(23)14-24)18-8-4-5-9-20(18)22-21/h2-9,17,22,24H,10-14H2,1H3/t17-/m0/s1
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4.68E+3n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50363965
PNG
(CHEMBL1949727)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50363964
PNG
(CHEMBL1949726)
Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363965
PNG
(CHEMBL1949727)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363964
PNG
(CHEMBL1949726)
Show SMILES C[C@@H]1Cc2c(Cc3ccccc3CCN1C)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C21H24N2/c1-15-13-19-18-9-5-6-10-20(18)22-21(19)14-17-8-4-3-7-16(17)11-12-23(15)2/h3-10,15,22H,11-14H2,1-2H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50363965
PNG
(CHEMBL1949727)
Show SMILES CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-23-11-10-14-6-2-3-7-15(14)12-19-17(13-20(23)21(24)25)16-8-4-5-9-18(16)22-19/h2-9,20,22H,10-13H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Martin Luther Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells


J Med Chem 54: 7422-6 (2011)


Article DOI: 10.1021/jm200676f
BindingDB Entry DOI: 10.7270/Q27M08DP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313918
PNG
(5-Methyl-4,5,6,7-tetrahydroindolo[4,3a,3-ef][3]ben...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(C1)c23
Show InChI InChI=1S/C19H20N2/c1-21-10-9-14-5-2-3-6-15(14)11-17-12-20-18-8-4-7-16(13-21)19(17)18/h2-8,12,20H,9-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313918
PNG
(5-Methyl-4,5,6,7-tetrahydroindolo[4,3a,3-ef][3]ben...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(C1)c23
Show InChI InChI=1S/C19H20N2/c1-21-10-9-14-5-2-3-6-15(14)11-17-12-20-18-8-4-7-16(13-21)19(17)18/h2-8,12,20H,9-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313918
PNG
(5-Methyl-4,5,6,7-tetrahydroindolo[4,3a,3-ef][3]ben...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(C1)c23
Show InChI InChI=1S/C19H20N2/c1-21-10-9-14-5-2-3-6-15(14)11-17-12-20-18-8-4-7-16(13-21)19(17)18/h2-8,12,20H,9-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313918
PNG
(5-Methyl-4,5,6,7-tetrahydroindolo[4,3a,3-ef][3]ben...)
Show SMILES CN1CCc2ccccc2Cc2c[nH]c3cccc(C1)c23
Show InChI InChI=1S/C19H20N2/c1-21-10-9-14-5-2-3-6-15(14)11-17-12-20-18-8-4-7-16(13-21)19(17)18/h2-8,12,20H,9-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50313915
PNG
(2,8,9,13b-Tetrahydro-6H-isoquino[2,1-b]pyrrolo[4,3...)
Show SMILES C1Cc2ccccc2C2N1Cc1cccc3[nH]cc2c13
Show InChI InChI=1S/C18H16N2/c1-2-6-14-12(4-1)8-9-20-11-13-5-3-7-16-17(13)15(10-19-16)18(14)20/h1-7,10,18-19H,8-9,11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50313915
PNG
(2,8,9,13b-Tetrahydro-6H-isoquino[2,1-b]pyrrolo[4,3...)
Show SMILES C1Cc2ccccc2C2N1Cc1cccc3[nH]cc2c13
Show InChI InChI=1S/C18H16N2/c1-2-6-14-12(4-1)8-9-20-11-13-5-3-7-16-17(13)15(10-19-16)18(14)20/h1-7,10,18-19H,8-9,11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313915
PNG
(2,8,9,13b-Tetrahydro-6H-isoquino[2,1-b]pyrrolo[4,3...)
Show SMILES C1Cc2ccccc2C2N1Cc1cccc3[nH]cc2c13
Show InChI InChI=1S/C18H16N2/c1-2-6-14-12(4-1)8-9-20-11-13-5-3-7-16-17(13)15(10-19-16)18(14)20/h1-7,10,18-19H,8-9,11H2
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Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313915
PNG
(2,8,9,13b-Tetrahydro-6H-isoquino[2,1-b]pyrrolo[4,3...)
Show SMILES C1Cc2ccccc2C2N1Cc1cccc3[nH]cc2c13
Show InChI InChI=1S/C18H16N2/c1-2-6-14-12(4-1)8-9-20-11-13-5-3-7-16-17(13)15(10-19-16)18(14)20/h1-7,10,18-19H,8-9,11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313914
PNG
(2,6,7,9,10,14b-Hexahydroindolo[3',4':3,4,5]azepino...)
Show SMILES C1Cc2ccccc2C2N1CCc1cccc3[nH]cc2c13
Show InChI InChI=1S/C19H18N2/c1-2-6-15-13(4-1)8-10-21-11-9-14-5-3-7-17-18(14)16(12-20-17)19(15)21/h1-7,12,19-20H,8-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50313913
PNG
(5,6,8,9,10,14c-Hexahydroindolo[3',2':3,4,]pyrido[2...)
Show SMILES C1Cc2[nH]c3ccccc3c2C2N1CCc1ccccc21
Show InChI InChI=1S/C19H18N2/c1-2-6-14-13(5-1)9-11-21-12-10-17-18(19(14)21)15-7-3-4-8-16(15)20-17/h1-8,19-20H,9-12H2
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Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50313913
PNG
(5,6,8,9,10,14c-Hexahydroindolo[3',2':3,4,]pyrido[2...)
Show SMILES C1Cc2[nH]c3ccccc3c2C2N1CCc1ccccc21
Show InChI InChI=1S/C19H18N2/c1-2-6-14-13(5-1)9-11-21-12-10-17-18(19(14)21)15-7-3-4-8-16(15)20-17/h1-8,19-20H,9-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting


J Med Chem 53: 2646-50 (2010)


Article DOI: 10.1021/jm901291r
BindingDB Entry DOI: 10.7270/Q2SJ1KRJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1
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n/an/a 0.450n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 0.520n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111775
PNG
(CHEMBL3605360)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C28H38N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-24,26-27,33,35-36H,1-5,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111778
PNG
(CHEMBL3605363)
Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
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