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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50436531'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436531
PNG
(CHEMBL2397385)
Show SMILES CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C28H25NO3/c1-29-13-12-16-6-7-18(14-17-8-10-23(30)21-5-3-2-4-20(17)21)26-25(16)22(29)15-19-9-11-24(31)28(32)27(19)26/h2-11,22,30-32H,12-15H2,1H3/t22-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem 21: 4143-50 (2013)


Article DOI: 10.1016/j.bmc.2013.05.014
BindingDB Entry DOI: 10.7270/Q2TH8P3W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436531
PNG
(CHEMBL2397385)
Show SMILES CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C28H25NO3/c1-29-13-12-16-6-7-18(14-17-8-10-23(30)21-5-3-2-4-20(17)21)26-25(16)22(29)15-19-9-11-24(31)28(32)27(19)26/h2-11,22,30-32H,12-15H2,1H3/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 76n/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation after 15 mins


Bioorg Med Chem 21: 4143-50 (2013)


Article DOI: 10.1016/j.bmc.2013.05.014
BindingDB Entry DOI: 10.7270/Q2TH8P3W
More data for this
Ligand-Target Pair