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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50285668'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to dopaminergic D3 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Dopamine D3 receptor in CHO cells using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 5: 2547-2550 (1995)


Article DOI: 10.1016/0960-894X(95)00447-2
BindingDB Entry DOI: 10.7270/Q20R9PCT
More data for this
Ligand-Target Pair