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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 = 'BDBM50294118'   
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))
BDBM50294118
PNG
(2-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C22H27ClN4/c23-19-8-10-21(11-9-19)26-16-14-25(15-17-26)12-4-1-2-6-20-18-22-7-3-5-13-27(22)24-20/h3,5,7-11,13,18H,1-2,4,6,12,14-17H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50294118
PNG
(2-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C22H27ClN4/c23-19-8-10-21(11-9-19)26-16-14-25(15-17-26)12-4-1-2-6-20-18-22-7-3-5-13-27(22)24-20/h3,5,7-11,13,18H,1-2,4,6,12,14-17H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair