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BDBM50056031 CHEMBL104593::N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isonicotinamide

SMILES: COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1

InChI Key: InChIKey=IQYRBWJVVBVMOS-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50056031   
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))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
KEGG

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PC sid
UniChem

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Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia 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 incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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Article
PubMed
0.933n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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18n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by determining in vitro displacement of [3H]-8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition si...


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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230n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-spiperone from Dopamine receptor D2 binding site in rat striatum.


J Med Chem 40: 300-12 (1997)


Article DOI: 10.1021/jm960496o
BindingDB Entry DOI: 10.7270/Q27W6B96
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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UniChem

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Article
PubMed
537n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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587n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50056031
PNG
(CHEMBL104593 | N-{2-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair