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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50069251'   
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))
BDBM50069251
PNG
(3-Benzhydrylidene-1-{2-[4-(3-chloro-phenyl)-pipera...)
Show SMILES Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28ClN3O2/c30-24-12-7-13-25(20-24)32-17-14-31(15-18-32)16-19-33-27(34)21-26(29(33)35)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20H,14-19,21H2
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PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 in rat striatum membrane using [3H]-raclopride as radioligand


Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50069251
PNG
(3-Benzhydrylidene-1-{2-[4-(3-chloro-phenyl)-pipera...)
Show SMILES Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C29H28ClN3O2/c30-24-12-7-13-25(20-24)32-17-14-31(15-18-32)16-19-33-27(34)21-26(29(33)35)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20H,14-19,21H2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 of rat striatal membranes using [3H]- raclopride


J Med Chem 42: 36-49 (1999)


Article DOI: 10.1021/jm980285e
BindingDB Entry DOI: 10.7270/Q2B27TFT
More data for this
Ligand-Target Pair