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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 = 'BDBM50184432'   
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))
BDBM50184432
PNG
(3,11-Dimethoxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES COc1ccc2Cc3ccc(OC)cc3CCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184432
PNG
(3,11-Dimethoxy-7-methyl-5,6,7,8,9,14-hexahydrodibe...)
Show SMILES COc1ccc2Cc3ccc(OC)cc3CCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO2/c1-21-10-8-17-13-19(22-2)6-4-15(17)12-16-5-7-20(23-3)14-18(16)9-11-21/h4-7,13-14H,8-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from D2L dopamine receptor


J Med Chem 49: 2110-6 (2006)


Article DOI: 10.1021/jm051237e
BindingDB Entry DOI: 10.7270/Q2ZW1KHD
More data for this
Ligand-Target Pair