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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50034282   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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0.000185n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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0.000778n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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0.00157n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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0.0161n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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0.0842n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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0.850n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
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0.867n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359963
PNG
(CHEMBL1927097)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-6-1-3-8-21-17)23-10-5-11-25-12-14-26(15-13-25)18-7-2-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,24)
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1.12n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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1.31n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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1.61n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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1.81n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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3.28n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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4.68n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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6.67n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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17.2n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359965
PNG
(CHEMBL1927099)
Show SMILES O=C(N1CCN(CCCN=C(NC#N)c2ccccn2)CC1)c1ccco1
Show InChI InChI=1S/C19H22N6O2/c20-15-23-18(16-5-1-2-7-21-16)22-8-4-9-24-10-12-25(13-11-24)19(26)17-6-3-14-27-17/h1-3,5-7,14H,4,8-13H2,(H,22,23)
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21.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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22.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359959
PNG
(CHEMBL1927093)
Show SMILES Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-6-1-2-8-19(17)27-14-12-26(13-15-27)11-5-10-24-20(25-16-22)18-7-3-4-9-23-18/h1-4,6-9H,5,10-15H2,(H,24,25)
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27n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359957
PNG
(CHEMBL1927091)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
Show InChI InChI=1S/C21H23N7/c22-16-18-6-1-2-8-20(18)28-14-12-27(13-15-28)11-5-10-25-21(26-17-23)19-7-3-4-9-24-19/h1-4,6-9H,5,10-15H2,(H,25,26)
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28.8n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
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29.7n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
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30n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359963
PNG
(CHEMBL1927097)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-6-1-3-8-21-17)23-10-5-11-25-12-14-26(15-13-25)18-7-2-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,24)
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30.6n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359964
PNG
(CHEMBL1927098)
Show SMILES N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
Show InChI InChI=1S/C22H26N6O2/c23-16-26-22(19-4-1-2-7-24-19)25-8-3-9-27-10-12-28(13-11-27)15-18-5-6-20-21(14-18)30-17-29-20/h1-2,4-7,14H,3,8-13,15,17H2,(H,25,26)
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51.8n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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52.4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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83.7n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359959
PNG
(CHEMBL1927093)
Show SMILES Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-6-1-2-8-19(17)27-14-12-26(13-15-27)11-5-10-24-20(25-16-22)18-7-3-4-9-23-18/h1-4,6-9H,5,10-15H2,(H,24,25)
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170n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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381n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359967
PNG
(CHEMBL1927086)
Show SMILES COCCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C17H26N6O/c1-24-14-13-23-11-9-22(10-12-23)8-4-7-20-17(21-15-18)16-5-2-3-6-19-16/h2-3,5-6H,4,7-14H2,1H3,(H,20,21)
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389n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359968
PNG
(CHEMBL1927087)
Show SMILES CCOCCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C18H28N6O/c1-2-25-15-14-24-12-10-23(11-13-24)9-5-8-21-18(22-16-19)17-6-3-4-7-20-17/h3-4,6-7H,2,5,8-15H2,1H3,(H,21,22)
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597n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359957
PNG
(CHEMBL1927091)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
Show InChI InChI=1S/C21H23N7/c22-16-18-6-1-2-8-20(18)28-14-12-27(13-15-28)11-5-10-25-21(26-17-23)19-7-3-4-9-24-19/h1-4,6-9H,5,10-15H2,(H,25,26)
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904n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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2.73E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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3.08E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359964
PNG
(CHEMBL1927098)
Show SMILES N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
Show InChI InChI=1S/C22H26N6O2/c23-16-26-22(19-4-1-2-7-24-19)25-8-3-9-27-10-12-28(13-11-27)15-18-5-6-20-21(14-18)30-17-29-20/h1-2,4-7,14H,3,8-13,15,17H2,(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359958
PNG
(CHEMBL1927092)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-7-5-9-21(19(18)2)28-15-13-27(14-16-28)12-6-11-25-22(26-17-23)20-8-3-4-10-24-20/h3-5,7-10H,6,11-16H2,1-2H3,(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359961
PNG
(CHEMBL1927095)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-5-3-6-18(15-17)30-13-11-29(12-14-30)10-4-9-27-20(28-16-25)19-7-1-2-8-26-19/h1-3,5-8,15H,4,9-14H2,(H,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50359963
PNG
(CHEMBL1927097)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-6-1-3-8-21-17)23-10-5-11-25-12-14-26(15-13-25)18-7-2-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359954
PNG
(CHEMBL1927088)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359963
PNG
(CHEMBL1927097)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-6-1-3-8-21-17)23-10-5-11-25-12-14-26(15-13-25)18-7-2-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359965
PNG
(CHEMBL1927099)
Show SMILES O=C(N1CCN(CCCN=C(NC#N)c2ccccn2)CC1)c1ccco1
Show InChI InChI=1S/C19H22N6O2/c20-15-23-18(16-5-1-2-7-21-16)22-8-4-9-24-10-12-25(13-11-24)19(26)17-6-3-14-27-17/h1-3,5-7,14H,4,8-13H2,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359963
PNG
(CHEMBL1927097)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-6-1-3-8-21-17)23-10-5-11-25-12-14-26(15-13-25)18-7-2-4-9-22-18/h1-4,6-9H,5,10-15H2,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50359966
PNG
(CHEMBL1927085)
Show SMILES C=CCN1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C17H24N6/c1-2-9-22-11-13-23(14-12-22)10-5-8-20-17(21-15-18)16-6-3-4-7-19-16/h2-4,6-7H,1,5,8-14H2,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359962
PNG
(CHEMBL1927096)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-5-1-2-6-20-16)21-9-4-10-25-11-13-26(14-12-25)18-22-7-3-8-23-18/h1-3,5-8H,4,9-14H2,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359957
PNG
(CHEMBL1927091)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
Show InChI InChI=1S/C21H23N7/c22-16-18-6-1-2-8-20(18)28-14-12-27(13-15-28)11-5-10-25-21(26-17-23)19-7-3-4-9-24-19/h1-4,6-9H,5,10-15H2,(H,25,26)
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Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359960
PNG
(CHEMBL1927094)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-17-5-3-6-18(15-17)27-13-11-26(12-14-27)10-4-9-24-20(25-16-22)19-7-1-2-8-23-19/h1-3,5-8,15H,4,9-14H2,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Eur J Med Chem 47: 520-9 (2012)

More data for this
Ligand-Target Pair
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