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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 = 'BDBM50441096'   
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))
BDBM50441096
PNG
(CHEMBL2430443)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-19-21(24-25-28)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
137n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50441096
PNG
(CHEMBL2430443)
Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-19-21(24-25-28)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
228n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from cloned human dopamine D2 receptor


Bioorg Med Chem Lett 23: 5586-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.047
BindingDB Entry DOI: 10.7270/Q2KH0PR6
More data for this
Ligand-Target Pair