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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 = 'BDBM50285665'   
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))
BDBM50285665
PNG
(2-{4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-p...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H27N5O/c1-2-7-23-22(6-1)27-25(28-23)20-9-11-21(12-10-20)31-19-5-14-29-15-17-30(18-16-29)24-8-3-4-13-26-24/h1-4,6-13H,5,14-19H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
8n/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))
BDBM50285665
PNG
(2-{4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-p...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H27N5O/c1-2-7-23-22(6-1)27-25(28-23)20-9-11-21(12-10-20)31-19-5-14-29-15-17-30(18-16-29)24-8-3-4-13-26-24/h1-4,6-13H,5,14-19H2,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
8n/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