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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 = 'BDBM50294116'   
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))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294116
PNG
(CHEMBL561763 | N-[3-[4-(2-Methylsulfanylphenyl)pip...)
Show SMILES CSc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
Show InChI InChI=1S/C22H27N5OS/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair