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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50109943'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109943
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
Show InChI InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
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PubMed
1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109943
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
Show InChI InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
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1.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109943
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
Show InChI InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 1.5n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Tested for the effective concentration against human D4.2 receptor in CHO 10001 cells established in mitogenesis assay


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair