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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 = 'BDBM50429057'   
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))
BDBM50429057
PNG
(CHEMBL2334891)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |r|
Show InChI InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
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Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human FLAG-tagged dopamine D2 receptor expressed in HEK293 cells after 1 hr


Bioorg Med Chem Lett 27: 1437-1440 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.090
BindingDB Entry DOI: 10.7270/Q24X5B1N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429057
PNG
(CHEMBL2334891)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |r|
Show InChI InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter


Bioorg Med Chem 21: 856-68 (2013)


Article DOI: 10.1016/j.bmc.2012.12.016
BindingDB Entry DOI: 10.7270/Q2JD4Z4M
More data for this
Ligand-Target Pair