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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 = 'BDBM50030481'   
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))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50030481
PNG
(CHEMBL3344458)
Show SMILES [H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
Show InChI InChI=1S/C20H25NO2S/c1-3-4-5-15-8-14-12-21-7-6-13-9-19(23-2)18(22)10-16(13)17(21)11-20(14)24-15/h8-10,17,22H,3-7,11-12H2,1-2H3/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole


Bioorg Med Chem 22: 5838-46 (2014)


Article DOI: 10.1016/j.bmc.2014.09.024
BindingDB Entry DOI: 10.7270/Q2NC62SQ
More data for this
Ligand-Target Pair