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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50409510'   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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21n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


J Med Chem 34: 2242-7 (1991)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2930VPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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Article
PubMed
21n/an/an/an/an/an/an/an/a



Universidad de Santiago

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.


J Med Chem 42: 2774-97 (1999)


Article DOI: 10.1021/jm981094e
BindingDB Entry DOI: 10.7270/Q2BG2RR8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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104n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
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223n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50409510
PNG
(CHEMBL308480)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2
PDB

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PubMed
224n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair