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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50129431'   
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))
BDBM50129431
PNG
(9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+
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8.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50129431
PNG
(9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+
KEGG

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19n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand


Bioorg Med Chem Lett 13: 2179-83 (2003)


BindingDB Entry DOI: 10.7270/Q21Z43SN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50129431
PNG
(9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+
KEGG

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19n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [125I]IABN binding to rat Dopamine D3 receptor expressed in HEK 293 cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129431
PNG
(9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+
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64n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]YM-09151-2 binding to human Dopamine D3 receptor expressed in CHO cells


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129431
PNG
(9H-Fluorene-4-carboxylic acid {(E)-4-[4-(2,3-dichl...)
Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
Show InChI InChI=1S/C28H27Cl2N3O/c29-24-11-6-12-25(27(24)30)33-17-15-32(16-18-33)14-4-3-13-31-28(34)23-10-5-8-21-19-20-7-1-2-9-22(20)26(21)23/h1-12H,13-19H2,(H,31,34)/b4-3+
PDB

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PubMed
n/an/a 114n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor


J Med Chem 48: 3663-79 (2005)


Article DOI: 10.1021/jm040190e
BindingDB Entry DOI: 10.7270/Q2474BNF
More data for this
Ligand-Target Pair