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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 = 'BDBM50414556'   
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))
BDBM50414556
PNG
(CHEMBL564930)
Show SMILES CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:10:9:1:5.4|
Show InChI InChI=1S/C21H30ClN3O/c1-20(2)16-7-8-21(20,3)15-23(14-16)9-10-24-11-12-25(19(24)26)18-6-4-5-17(22)13-18/h4-6,13,16H,7-12,14-15H2,1-3H3/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414556
PNG
(CHEMBL564930)
Show SMILES CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(C1=O)c1cccc(Cl)c1)C2 |r,THB:10:9:1:5.4|
Show InChI InChI=1S/C21H30ClN3O/c1-20(2)16-7-8-21(20,3)15-23(14-16)9-10-24-11-12-25(19(24)26)18-6-4-5-17(22)13-18/h4-6,13,16H,7-12,14-15H2,1-3H3/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Cancer Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4799-801 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.043
BindingDB Entry DOI: 10.7270/Q2154J9T
More data for this
Ligand-Target Pair