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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 = 'BDBM50325822'   
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))
BDBM50325822
PNG
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)
Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 6366-74 (2012)


Article DOI: 10.1016/j.bmc.2012.08.058
BindingDB Entry DOI: 10.7270/Q2G161X3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50325822
PNG
(CHEMBL1224527 | trans-(5R)-5-phenyl-1,2,3,4,4a,5,6...)
Show SMILES Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2/c21-18-7-6-13-16(19(18)22)10-15(12-4-2-1-3-5-12)14-8-9-20-11-17(13)14/h1-7,14-15,17,20-22H,8-11H2/t14-,15-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.50E+5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem 18: 6763-70 (2010)


Article DOI: 10.1016/j.bmc.2010.07.052
BindingDB Entry DOI: 10.7270/Q29K4BFR
More data for this
Ligand-Target Pair