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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 = 'BDBM50202304'   
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))
BDBM50202304
PNG
(1-Propyl-2,3,12,12a-tetrahydro-1H-7-oxa-1-aza-plei...)
Show SMILES CCCN1CCc2cccc3Oc4ccc(O)cc4CC1c23
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-13-4-3-5-18-19(13)16(20)12-14-11-15(21)6-7-17(14)22-18/h3-7,11,16,21H,2,8-10,12H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202304
PNG
(1-Propyl-2,3,12,12a-tetrahydro-1H-7-oxa-1-aza-plei...)
Show SMILES CCCN1CCc2cccc3Oc4ccc(O)cc4CC1c23
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-13-4-3-5-18-19(13)16(20)12-14-11-15(21)6-7-17(14)22-18/h3-7,11,16,21H,2,8-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair