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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50056031'   
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
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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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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