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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 = 'BDBM50445616'   
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))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
832n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
835n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair