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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 = 'BDBM50414579'   
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))
BDBM50414579
PNG
(CHEMBL564948)
Show SMILES CN(CCN1CCN(C1=O)c1ccc(C)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H35N3O/c1-18-5-7-20(8-6-18)26-16-15-25(21(26)27)14-13-24(4)17-23-11-9-19(10-12-23)22(23,2)3/h5-8,19H,9-17H2,1-4H3/t19-,23+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/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))
BDBM50414579
PNG
(CHEMBL564948)
Show SMILES CN(CCN1CCN(C1=O)c1ccc(C)cc1)C[C@@]12CC[C@@H](CC1)C2(C)C |r|
Show InChI InChI=1S/C23H35N3O/c1-18-5-7-20(8-6-18)26-16-15-25(21(26)27)14-13-24(4)17-23-11-9-19(10-12-23)22(23,2)3/h5-8,19H,9-17H2,1-4H3/t19-,23+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/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