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4 similar compounds to monomer 50359960

Compile data set for download or QSAR
Wt: 398.5
BDBM50346378
Wt: 373.4
BDBM50359957
Wt: 376.4
BDBM50359958
Wt: 382.8
BDBM50359959

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50346378,50359957,50359958,50359959   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(H,27,28)
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5.85n/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 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(H,27,28)
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224n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
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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>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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(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 dopamine D1 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50346378
PNG
(CHEMBL1783353 | N'-cyano-N-(3-(4-(naphthalen-1-yl)...)
Show SMILES N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
Show InChI InChI=1S/C24H26N6/c25-19-28-24(22-10-3-4-12-26-22)27-13-6-14-29-15-17-30(18-16-29)23-11-5-8-20-7-1-2-9-21(20)23/h1-5,7-12H,6,13-18H2,(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]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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>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)


Article DOI: 10.1016/j.ejmech.2011.11.023
BindingDB Entry DOI: 10.7270/Q29S1RFN
More data for this
Ligand-Target Pair