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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50031668   
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))
BDBM50316964
PNG
(CHEMBL1086961 | N'-cyano-N-(3-(4-(pyridin-2-yl)pip...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(H,23,24)
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0.0380n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316960
PNG
(CHEMBL1099374 | N'-cyano-N-(3-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-9-24-21(25-17-22)18-7-10-23-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,24,25)
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1.47n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,25)
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6.17n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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11.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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21.3n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316966
PNG
(CHEMBL1086959 | N'-cyano-N-(3-(4-(3-(trifluorometh...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)18-3-1-4-19(15-18)30-13-11-29(12-14-30)10-2-7-27-20(28-16-25)17-5-8-26-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,27,28)
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32.1n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316969
PNG
(CHEMBL1087319 | N'-cyano-N-(3-(4-(2,3-dimethylphen...)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccncc3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-5-3-6-21(19(18)2)28-15-13-27(14-16-28)12-4-9-25-22(26-17-23)20-7-10-24-11-8-20/h3,5-8,10-11H,4,9,12-16H2,1-2H3,(H,25,26)
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101n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316966
PNG
(CHEMBL1086959 | N'-cyano-N-(3-(4-(3-(trifluorometh...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)18-3-1-4-19(15-18)30-13-11-29(12-14-30)10-2-7-27-20(28-16-25)17-5-8-26-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,27,28)
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141n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316968
PNG
(CHEMBL1087444 | N-(3-(4-(2-chlorophenyl)piperazin-...)
Show SMILES Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-4-1-2-5-19(18)27-14-12-26(13-15-27)11-3-8-24-20(25-16-22)17-6-9-23-10-7-17/h1-2,4-7,9-10H,3,8,11-15H2,(H,24,25)
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166n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316965
PNG
(CHEMBL1086960 | N'-cyano-N-(3-(4-(pyrimidin-2-yl)p...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
Show InChI InChI=1S/C18H22N8/c19-15-24-17(16-3-8-20-9-4-16)21-7-2-10-25-11-13-26(14-12-25)18-22-5-1-6-23-18/h1,3-6,8-9H,2,7,10-14H2,(H,21,24)
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172n/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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,25)
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1.63E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,25,26)
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316972
PNG
(CHEMBL1087318 | N'-cyano-N-(3-(4-(2-cyanophenyl)pi...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Show InChI InChI=1S/C21H23N7/c22-16-19-4-1-2-5-20(19)28-14-12-27(13-15-28)11-3-8-25-21(26-17-23)18-6-9-24-10-7-18/h1-2,4-7,9-10H,3,8,11-15H2,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50316960
PNG
(CHEMBL1099374 | N'-cyano-N-(3-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-9-24-21(25-17-22)18-7-10-23-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(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 dopamine D1 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(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 dopamine D1 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50316964
PNG
(CHEMBL1086961 | N'-cyano-N-(3-(4-(pyridin-2-yl)pip...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(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 dopamine D1 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50316960
PNG
(CHEMBL1099374 | N'-cyano-N-(3-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-9-24-21(25-17-22)18-7-10-23-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(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 dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50316970
PNG
(CHEMBL1087182 | N'-cyano-N-(3-(4-(2-ethoxyphenyl)p...)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-7-4-3-6-20(21)28-16-14-27(15-17-28)13-5-10-25-22(26-18-23)19-8-11-24-12-9-19/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(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]spiperone from dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(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 dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316969
PNG
(CHEMBL1087319 | N'-cyano-N-(3-(4-(2,3-dimethylphen...)
Show SMILES Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccncc3)CC2)c1C
Show InChI InChI=1S/C22H28N6/c1-18-5-3-6-21(19(18)2)28-15-13-27(14-16-28)12-4-9-25-22(26-17-23)20-7-10-24-11-8-20/h3,5-8,10-11H,4,9,12-16H2,1-2H3,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316968
PNG
(CHEMBL1087444 | N-(3-(4-(2-chlorophenyl)piperazin-...)
Show SMILES Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-4-1-2-5-19(18)27-14-12-26(13-15-27)11-3-8-24-20(25-16-22)17-6-9-23-10-7-17/h1-2,4-7,9-10H,3,8,11-15H2,(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 hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316967
PNG
(CHEMBL1086958 | N-(3-(4-(3-chlorophenyl)piperazin-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C20H23ClN6/c21-18-3-1-4-19(15-18)27-13-11-26(12-14-27)10-2-7-24-20(25-16-22)17-5-8-23-9-6-17/h1,3-6,8-9,15H,2,7,10-14H2,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316963
PNG
(CHEMBL1087868 | N-(3-(4-((benzo[d][1,3]dioxol-5-yl...)
Show SMILES N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C22H26N6O2/c23-16-26-22(19-4-7-24-8-5-19)25-6-1-9-27-10-12-28(13-11-27)15-18-2-3-20-21(14-18)30-17-29-20/h2-5,7-8,14H,1,6,9-13,15,17H2,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316962
PNG
(CHEMBL1094381 | N-(3-(4-(2-furoyl)piperazin-1-yl)p...)
Show SMILES O=C(N1CCN(CCCN=C(NC#N)c2ccncc2)CC1)c1ccco1
Show InChI InChI=1S/C19H22N6O2/c20-15-23-18(16-4-7-21-8-5-16)22-6-2-9-24-10-12-25(13-11-24)19(26)17-3-1-14-27-17/h1,3-5,7-8,14H,2,6,9-13H2,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316971
PNG
(CHEMBL1086799 | N'-cyano-N-(3-(4-(2-ethoxyethyl)pi...)
Show SMILES CCOCCN1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C18H28N6O/c1-2-25-15-14-24-12-10-23(11-13-24)9-3-6-21-18(22-16-19)17-4-7-20-8-5-17/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,22)
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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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316959
PNG
(CHEMBL1087067 | N'-cyano-N-(3-(4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-5-3-19(4-6-20)27-15-13-26(14-16-27)12-2-9-24-21(25-17-22)18-7-10-23-11-8-18/h3-8,10-11H,2,9,12-16H2,1H3,(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]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316963
PNG
(CHEMBL1087868 | N-(3-(4-((benzo[d][1,3]dioxol-5-yl...)
Show SMILES N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
Show InChI InChI=1S/C22H26N6O2/c23-16-26-22(19-4-7-24-8-5-19)25-6-1-9-27-10-12-28(13-11-27)15-18-2-3-20-21(14-18)30-17-29-20/h2-5,7-8,14H,1,6,9-13,15,17H2,(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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316962
PNG
(CHEMBL1094381 | N-(3-(4-(2-furoyl)piperazin-1-yl)p...)
Show SMILES O=C(N1CCN(CCCN=C(NC#N)c2ccncc2)CC1)c1ccco1
Show InChI InChI=1S/C19H22N6O2/c20-15-23-18(16-4-7-21-8-5-16)22-6-2-9-24-10-12-25(13-11-24)19(26)17-3-1-14-27-17/h1,3-5,7-8,14H,2,6,9-13H2,(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 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316961
PNG
(CHEMBL1086798 | N'-cyano-N-(3-(4-(2-methoxyethyl)p...)
Show SMILES COCCN1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C17H26N6O/c1-24-14-13-23-11-9-22(10-12-23)8-2-5-20-17(21-15-18)16-3-6-19-7-4-16/h3-4,6-7H,2,5,8-14H2,1H3,(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]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50316964
PNG
(CHEMBL1086961 | N'-cyano-N-(3-(4-(pyridin-2-yl)pip...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
Show InChI InChI=1S/C19H23N7/c20-16-24-19(17-5-9-21-10-6-17)23-8-3-11-25-12-14-26(15-13-25)18-4-1-2-7-22-18/h1-2,4-7,9-10H,3,8,11-15H2,(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 dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316959
PNG
(CHEMBL1087067 | N'-cyano-N-(3-(4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-5-3-19(4-6-20)27-15-13-26(14-16-27)12-2-9-24-21(25-17-22)18-7-10-23-11-8-18/h3-8,10-11H,2,9,12-16H2,1H3,(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 hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50316960
PNG
(CHEMBL1099374 | N'-cyano-N-(3-(4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-9-24-21(25-17-22)18-7-10-23-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(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 hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins


Bioorg Med Chem Lett 20: 2978-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.106
BindingDB Entry DOI: 10.7270/Q2QR4X80
More data for this
Ligand-Target Pair