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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50523478'   
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))
BDBM50523478
PNG
(CHEMBL4473792)
Show SMILES Cc1ccc(cc1)C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O/c1-16-6-8-18(9-7-16)19-10-12-23(13-11-19)15-21(24)22-20-5-3-4-17(2)14-20/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,24)
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PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting me...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50523478
PNG
(CHEMBL4473792)
Show SMILES Cc1ccc(cc1)C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O/c1-16-6-8-18(9-7-16)19-10-12-23(13-11-19)15-21(24)22-20-5-3-4-17(2)14-20/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,24)
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PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50523478
PNG
(CHEMBL4473792)
Show SMILES Cc1ccc(cc1)C1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O/c1-16-6-8-18(9-7-16)19-10-12-23(13-11-19)15-21(24)22-20-5-3-4-17(2)14-20/h3-9,14,19H,10-13,15H2,1-2H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.35E+3n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...


J Med Chem 62: 3722-3740 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00231
BindingDB Entry DOI: 10.7270/Q20C505J
More data for this
Ligand-Target Pair