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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 = 'BDBM50436533'   
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))
BDBM50436533
PNG
(CHEMBL2397383)
Show SMILES CN1CCc2ccc(Cc3ccc(O)cc3)c-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C24H23NO3/c1-25-11-10-15-4-5-16(12-14-2-7-18(26)8-3-14)22-21(15)19(25)13-17-6-9-20(27)24(28)23(17)22/h2-9,19,26-28H,10-13H2,1H3/t19-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/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))
BDBM50436533
PNG
(CHEMBL2397383)
Show SMILES CN1CCc2ccc(Cc3ccc(O)cc3)c-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C24H23NO3/c1-25-11-10-15-4-5-16(12-14-2-7-18(26)8-3-14)22-21(15)19(25)13-17-6-9-20(27)24(28)23(17)22/h2-9,19,26-28H,10-13H2,1H3/t19-/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 2.70n/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