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2 similar compounds to monomer 50359961

Wt: 398.5
BDBM50346378
Wt: 376.4
BDBM50359958

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50346378,50359958   
Target
(Institution)
LigandTarget
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)

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)

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))
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)

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)

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)
UniProtKB/SwissProt

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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)

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 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)

More data for this
Ligand-Target Pair