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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50523476'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50523476
PNG
(CHEMBL4442548)
Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
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antibodypedia
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UniChem
Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-(+)-7-OH-DPAT from human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting meth...


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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50523476
PNG
(CHEMBL4442548)
Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50523476
PNG
(CHEMBL4442548)
Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.82E+4n/an/an/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50523476
PNG
(CHEMBL4442548)
Show SMILES CCc1cccc(NC(=O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H24N4O/c1-2-16-6-5-7-17(14-16)21-19(24)15-22-10-12-23(13-11-22)18-8-3-4-9-20-18/h3-9,14H,2,10-13,15H2,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.76E+3n/an/an/an/a



Rowan University

Curated by ChEMBL


Assay Description
Agonist activity at human D3 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminesce...


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