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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptors; D2 & D4' and Ligand = 'BDBM50027079'   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027079
PNG
(CHEMBL3335539)
Show SMILES COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
Show InChI InChI=1/C20H25NO2/c1-22-19-10-8-18(9-11-19)15-21-13-14-23-20(16-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,7,12-16H2,1H3
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KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
46n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027079
PNG
(CHEMBL3335539)
Show SMILES COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1
Show InChI InChI=1/C20H25NO2/c1-22-19-10-8-18(9-11-19)15-21-13-14-23-20(16-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,7,12-16H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


ACS Med Chem Lett 5: 1060-4 (2014)


Article DOI: 10.1021/ml500267c
BindingDB Entry DOI: 10.7270/Q2G44RWM
More data for this
Ligand-Target Pair