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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 = 'BDBM50463983'   
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))
BDBM50463983
PNG
(CHEMBL4250062)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCC#C
Show InChI InChI=1S/C22H26N2O3/c1-4-15-27-21-10-9-18(16-22(21)26-3)17-23-11-13-24(14-12-23)19-7-5-6-8-20(19)25-2/h1,5-10,16H,11-15,17H2,2-3H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
69n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50463983
PNG
(CHEMBL4250062)
Show SMILES COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCC#C
Show InChI InChI=1S/C22H26N2O3/c1-4-15-27-21-10-9-18(16-22(21)26-3)17-23-11-13-24(14-12-23)19-7-5-6-8-20(19)25-2/h1,5-10,16H,11-15,17H2,2-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation co...


J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair