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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 = 'BDBM50149708'   
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))
BDBM50149708
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
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Article
PubMed
0.720n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149708
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Erlangen-Nuremberg

Curated by ChEMBL


Assay Description
Binding affinity towards human D3 receptor using [3H]-spiperone expressed in CHO cells


Bioorg Med Chem Lett 14: 3963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.052
BindingDB Entry DOI: 10.7270/Q2B27TQD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50149708
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Show InChI InChI=1S/C24H28IN3O3/c1-30-22-7-3-2-6-20(22)28-14-12-27(13-15-28)11-5-4-10-26-24(29)23-17-18-16-19(25)8-9-21(18)31-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22.9n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair