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BDBM50359962 CHEMBL1927096

SMILES: N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1

InChI Key: InChIKey=DLTDRUFHRWCSNO-UHFFFAOYSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50359962   
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))
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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PC sid
UniChem
Article
PubMed
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)


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))
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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UniChem
Article
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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)


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))
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)


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))
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)


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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>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
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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n/an/a 0.0217n/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