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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 = 'BDBM50414580'   
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))
BDBM50414580
PNG
(CHEMBL555744)
Show SMILES COC[C@@H]1CCCN1N1CCN(C1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-11-14-6-3-7-18(14)19-9-8-17(15(19)20)13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/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))
BDBM50414580
PNG
(CHEMBL555744)
Show SMILES COC[C@@H]1CCCN1N1CCN(C1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-11-14-6-3-7-18(14)19-9-8-17(15(19)20)13-5-2-4-12(16)10-13/h2,4-5,10,14H,3,6-9,11H2,1H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79.4n/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