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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50102715'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50102715
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cccc3ccnn23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)14-18-3-1-2-17-8-9-20-23(17)18/h1-9H,10-14H2
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PC sid
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3.10E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2L using radioligand [3H]-spiperone


J Med Chem 44: 2691-4 (2001)


BindingDB Entry DOI: 10.7270/Q2542MWD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50102715
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cccc3ccnn23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)14-18-3-1-2-17-8-9-20-23(17)18/h1-9H,10-14H2
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50102715
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cccc3ccnn23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-16(7-5-15)22-12-10-21(11-13-22)14-18-3-1-2-17-8-9-20-23(17)18/h1-9H,10-14H2
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
6.70E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2S using radioligand [3H]-spiperone


J Med Chem 44: 2691-4 (2001)


BindingDB Entry DOI: 10.7270/Q2542MWD
More data for this
Ligand-Target Pair