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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 = 'BDBM50097341'   
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))
BDBM50097341
PNG
(3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-buty...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ccccn1 |t:1|
Show InChI InChI=1S/C22H25ClN4O2/c23-20-17-29-19-8-2-1-7-18(19)22(28)27(20)12-6-5-11-25-13-15-26(16-14-25)21-9-3-4-10-24-21/h1-4,7-10,17H,5-6,11-16H2
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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50097341
PNG
(3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-buty...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ccccn1 |t:1|
Show InChI InChI=1S/C22H25ClN4O2/c23-20-17-29-19-8-2-1-7-18(19)22(28)27(20)12-6-5-11-25-13-15-26(16-14-25)21-9-3-4-10-24-21/h1-4,7-10,17H,5-6,11-16H2
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 51n/an/an/an/an/an/a



Suntory Biomedical Research Limited

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Dopamine receptor D2 in of rat striatum membrane with [3H]- raclopride as radioligand


Bioorg Med Chem Lett 11: 595-8 (2001)


BindingDB Entry DOI: 10.7270/Q2P26XDB
More data for this
Ligand-Target Pair