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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50070798'   
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))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant dopmaine D3 receptor expressed in CHOK1 cells assessed as effect on cAMP levels


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair