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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50285661'   
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))
BDBM50285661
PNG
(2-{4-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-phenyl}...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-2-7-22(8-3-1)30-18-16-29(17-19-30)15-6-20-31-23-13-11-21(12-14-23)26-27-24-9-4-5-10-25(24)28-26/h1-5,7-14H,6,15-20H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
1.5n/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))
BDBM50285661
PNG
(2-{4-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-phenyl}...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H28N4O/c1-2-7-22(8-3-1)30-18-16-29(17-19-30)15-6-20-31-23-13-11-21(12-14-23)26-27-24-9-4-5-10-25(24)28-26/h1-5,7-14H,6,15-20H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
1.5n/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