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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50156925'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50156925
PNG
(CHEMBL3792541)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2cn3ccccc3n2)CCO1 |r|
Show InChI InChI=1S/C19H21N3O2/c1-2-6-17(7-3-1)24-15-18-14-21(10-11-23-18)12-16-13-22-9-5-4-8-19(22)20-16/h1-9,13,18H,10-12,14-15H2/t18-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50156925
PNG
(CHEMBL3792541)
Show SMILES C(Oc1ccccc1)[C@@H]1CN(Cc2cn3ccccc3n2)CCO1 |r|
Show InChI InChI=1S/C19H21N3O2/c1-2-6-17(7-3-1)24-15-18-14-21(10-11-23-18)12-16-13-22-9-5-4-8-19(22)20-16/h1-9,13,18H,10-12,14-15H2/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 26: 2481-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.102
BindingDB Entry DOI: 10.7270/Q2G44S5M
More data for this
Ligand-Target Pair