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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 = 'BDBM50328450'   
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))
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
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PC cid
PC sid
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328450
PNG
(4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-1-(4-fluo...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H27FN2O/c1-17-5-6-18(2)21(16-17)25-14-12-24(13-15-25)11-3-4-22(26)19-7-9-20(23)10-8-19/h5-10,16H,3-4,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells


J Med Chem 53: 7219-28 (2010)


Article DOI: 10.1021/jm100899z
BindingDB Entry DOI: 10.7270/Q27W6CDZ
More data for this
Ligand-Target Pair