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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 = 'BDBM50157069'   
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))
BDBM50157069
PNG
(CHEMBL3792532)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl |r|
Show InChI InChI=1S/C18H20ClFN2O3/c1-23-16-6-5-13(9-15(16)19)10-22-7-8-24-14(11-22)12-25-18-4-2-3-17(20)21-18/h2-6,9,14H,7-8,10-12H2,1H3/t14-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
73n/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))
BDBM50157069
PNG
(CHEMBL3792532)
Show SMILES COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl |r|
Show InChI InChI=1S/C18H20ClFN2O3/c1-23-16-6-5-13(9-15(16)19)10-22-7-8-24-14(11-22)12-25-18-4-2-3-17(20)21-18/h2-6,9,14H,7-8,10-12H2,1H3/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/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