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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'görnemann' and Initial = 't'   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417067
PNG
(CHEMBL1258345)
Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C29H32N4O4/c1-37-26-15-9-8-14-25(26)32-18-16-31(17-19-32)20-24(34)21-33-28(36)30-27(35)29(33,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,34H,16-21H2,1H3,(H,30,35,36)
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16.6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417068
PNG
(CHEMBL1258457)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H34N4O4/c1-2-38-27-16-10-9-15-26(27)33-19-17-32(18-20-33)21-25(35)22-34-29(37)31-28(36)30(34,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25,35H,2,17-22H2,1H3,(H,31,36,37)
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67.6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417064
PNG
(CHEMBL500266)
Show SMILES COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O6/c1-24(30(39)43-3)37-31(40)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)36(32(37)41)23-27(38)22-34-18-20-35(21-19-34)28-16-10-11-17-29(28)42-2/h4-17,24,27,38H,18-23H2,1-3H3
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105n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417061
PNG
(CHEMBL490865)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O4/c1-3-39-28-17-11-10-16-27(28)34-20-18-33(19-21-34)22-26(36)23-35-30(38)32(2)29(37)31(35,24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,26,36H,3,18-23H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417058
PNG
(CHEMBL1256344)
Show SMILES CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H40N4O6/c1-4-44-31(40)25(2)38-32(41)34(26-13-7-5-8-14-26,27-15-9-6-10-16-27)37(33(38)42)24-28(39)23-35-19-21-36(22-20-35)29-17-11-12-18-30(29)43-3/h5-18,25,28,39H,4,19-24H2,1-3H3
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135n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417057
PNG
(CHEMBL444648)
Show SMILES CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O6/c1-3-43-30(39)24-36-31(40)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)37(32(36)41)23-27(38)22-34-18-20-35(21-19-34)28-16-10-11-17-29(28)42-2/h4-17,27,38H,3,18-24H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417060
PNG
(CHEMBL484102)
Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H34N4O4/c1-31-28(36)30(23-11-5-3-6-12-23,24-13-7-4-8-14-24)34(29(31)37)22-25(35)21-32-17-19-33(20-18-32)26-15-9-10-16-27(26)38-2/h3-16,25,35H,17-22H2,1-2H3
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162n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417065
PNG
(CHEMBL448198)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C34H40N4O6/c1-4-44-30-18-12-11-17-29(30)36-21-19-35(20-22-36)23-28(39)24-37-33(42)38(25(2)31(40)43-3)32(41)34(37,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-18,25,28,39H,4,19-24H2,1-3H3
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166n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417063
PNG
(CHEMBL503007)
Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417062
PNG
(CHEMBL1258228)
Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H34N4O5/c1-40-28(37)23-34-29(38)31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)35(30(34)39)22-27(36)21-32-17-19-33(20-18-32)26-15-9-4-10-16-26/h2-16,27,36H,17-23H2,1H3
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417n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417059
PNG
(CHEMBL1257883)
Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31FN4O3/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30/h2-15,24,35H,16-21H2,1H3
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562n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50417066
PNG
(CHEMBL1258344)
Show SMILES OC(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H30N4O3/c33-25(20-30-16-18-31(19-17-30)24-14-8-3-9-15-24)21-32-27(35)29-26(34)28(32,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25,33H,16-21H2,(H,29,34,35)
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741n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain


Bioorg Med Chem Lett 20: 6152-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51
More data for this
Ligand-Target Pair