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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 = 'BDBM50414562'   
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


(Homo sapiens (Human))
BDBM50414562
PNG
(CHEMBL554738)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1
Show InChI InChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50.1n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414562
PNG
(CHEMBL554738)
Show SMILES CN(CCN1CCN(C1=O)c1cccc(Cl)c1)Cc1cc2ccccc2s1
Show InChI InChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50.1n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair