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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50041612   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.355n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.562n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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1.86n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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2.04n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219137
PNG
(7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...)
Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3
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2.67n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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3.47n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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3.55n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50412384
PNG
(CHEMBL508399)
Show SMILES CCN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-2-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21)14-18(17)10-12-20/h3-8,14,21H,2,9-13H2,1H3
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3.72n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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12.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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13.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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17.4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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21.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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22.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219140
PNG
(12-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dib...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-18-15-20(22-2)10-9-19(18)14-17-7-4-3-6-16(17)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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24.6n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219140
PNG
(12-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dib...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-18-15-20(22-2)10-9-19(18)14-17-7-4-3-6-16(17)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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28.2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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41.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219137
PNG
(7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...)
Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3
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41.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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43.6n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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58.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50412383
PNG
(CHEMBL459871)
Show SMILES Oc1ccc2Cc3ccccc3CCNCCc2c1
Show InChI InChI=1S/C17H19NO/c19-17-6-5-15-11-14-4-2-1-3-13(14)7-9-18-10-8-16(15)12-17/h1-6,12,18-19H,7-11H2
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63.1n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412384
PNG
(CHEMBL508399)
Show SMILES CCN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-2-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21)14-18(17)10-12-20/h3-8,14,21H,2,9-13H2,1H3
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77.6n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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86.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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115n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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158n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50412383
PNG
(CHEMBL459871)
Show SMILES Oc1ccc2Cc3ccccc3CCNCCc2c1
Show InChI InChI=1S/C17H19NO/c19-17-6-5-15-11-14-4-2-1-3-13(14)7-9-18-10-8-16(15)12-17/h1-6,12,18-19H,7-11H2
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389n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50412384
PNG
(CHEMBL508399)
Show SMILES CCN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-2-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21)14-18(17)10-12-20/h3-8,14,21H,2,9-13H2,1H3
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n/an/an/a 3.98n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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n/an/an/a 1.32n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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n/an/an/a 0.646n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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n/an/an/a 2n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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n/an/an/a 2.04n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219137
PNG
(7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...)
Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3
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n/an/an/a 2.14n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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n/an/an/a 3.39n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219140
PNG
(12-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dib...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-18-15-20(22-2)10-9-19(18)14-17-7-4-3-6-16(17)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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n/an/an/a 5.75n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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n/an/an/a 0.891n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50196235
PNG
(7-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C21H24N2/c1-23-13-6-10-19-18-9-4-5-11-20(18)22-21(19)15-17-8-3-2-7-16(17)12-14-23/h2-5,7-9,11,22H,6,10,12-15H2,1H3
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n/an/an/a 3.80n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50412383
PNG
(CHEMBL459871)
Show SMILES Oc1ccc2Cc3ccccc3CCNCCc2c1
Show InChI InChI=1S/C17H19NO/c19-17-6-5-15-11-14-4-2-1-3-13(14)7-9-18-10-8-16(15)12-17/h1-6,12,18-19H,7-11H2
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n/an/an/a 61.7n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair