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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50061652'   
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


(Rattus norvegicus (rat))
BDBM50061652
PNG
(2-Propylaminomethyl-chroman-7-ol; oxalic acid | CH...)
Show SMILES CCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C13H19NO2/c1-2-7-14-9-12-6-4-10-3-5-11(15)8-13(10)16-12/h3,5,8,12,14-15H,2,4,6-7,9H2,1H3
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Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50061652
PNG
(2-Propylaminomethyl-chroman-7-ol; oxalic acid | CH...)
Show SMILES CCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C13H19NO2/c1-2-7-14-9-12-6-4-10-3-5-11(15)8-13(10)16-12/h3,5,8,12,14-15H,2,4,6-7,9H2,1H3
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Article
PubMed
49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.039
BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50061652
PNG
(2-Propylaminomethyl-chroman-7-ol; oxalic acid | CH...)
Show SMILES CCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C13H19NO2/c1-2-7-14-9-12-6-4-10-3-5-11(15)8-13(10)16-12/h3,5,8,12,14-15H,2,4,6-7,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity stat...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair