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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 = 'BDBM50069907'   
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))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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PubMed
>400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 295-300 (1999)


BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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Article
>400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details

Article DOI: 10.1007/s00044-012-0055-5
BindingDB Entry DOI: 10.7270/Q2959MG8
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair