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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 = 'BDBM50433127'   
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))
BDBM50433127
PNG
(CHEMBL2377590)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)24(17-31-27)19-9-13-33(14-10-19)11-3-4-12-34-28(35)16-23(29(34)36)25-18-32-26-6-2-1-5-21(25)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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PC cid
PC sid
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50433127
PNG
(CHEMBL2377590)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)24(17-31-27)19-9-13-33(14-10-19)11-3-4-12-34-28(35)16-23(29(34)36)25-18-32-26-6-2-1-5-21(25)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 63: 484-500 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.033
BindingDB Entry DOI: 10.7270/Q2N017WF
More data for this
Ligand-Target Pair