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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 = 'BDBM50414563'   
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))
BDBM50414563
PNG
(CHEMBL559873)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
Show InChI InChI=1S/C19H22ClN3OS/c20-16-3-1-4-17(13-16)23-11-10-22(19(23)24)9-8-21-7-2-5-18-15(14-21)6-12-25-18/h1,3-4,6,12-13H,2,5,7-11,14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.631n/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))
BDBM50414563
PNG
(CHEMBL559873)
Show SMILES Clc1cccc(c1)N1CCN(CCN2CCCc3sccc3C2)C1=O
Show InChI InChI=1S/C19H22ClN3OS/c20-16-3-1-4-17(13-16)23-11-10-22(19(23)24)9-8-21-7-2-5-18-15(14-21)6-12-25-18/h1,3-4,6,12-13H,2,5,7-11,14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.631n/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