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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 = 'BDBM50429067'   
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))
BDBM50429067
PNG
(CHEMBL2335737)
Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins


Bioorg Med Chem Lett 23: 1498-501 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.046
BindingDB Entry DOI: 10.7270/Q290255G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429067
PNG
(CHEMBL2335737)
Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...


Bioorg Med Chem Lett 23: 1498-501 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.046
BindingDB Entry DOI: 10.7270/Q290255G
More data for this
Ligand-Target Pair