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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 = 'BDBM50061633'   
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))
BDBM50061633
PNG
(2-[(4-Hydroxy-benzylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1
Show InChI InChI=1S/C17H19NO3/c19-14-5-1-12(2-6-14)10-18-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,18-20H,4,8,10-11H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/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))
BDBM50061633
PNG
(2-[(4-Hydroxy-benzylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1
Show InChI InChI=1S/C17H19NO3/c19-14-5-1-12(2-6-14)10-18-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,18-20H,4,8,10-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/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