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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 = 'BDBM50149707'   
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))
BDBM50149707
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
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Article
PubMed
1.59n/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))
BDBM50149707
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.70n/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))
BDBM50149707
PNG
(5-Iodo-benzofuran-2-carboxylic acid {4-[4-(2,3-dic...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Show InChI InChI=1S/C23H24Cl2IN3O2/c24-18-4-3-5-19(22(18)25)29-12-10-28(11-13-29)9-2-1-8-27-23(30)21-15-16-14-17(26)6-7-20(16)31-21/h3-7,14-15H,1-2,8-13H2,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/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