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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 = 'BDBM50021796'   
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))
BDBM50021796
PNG
(CHEMBL3299094)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C19H31N3O3/c1-19(2,3)25-18(23)20-10-7-11-21-12-14-22(15-13-21)16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-15H2,1-4H3,(H,20,23)
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PC cid
PC sid
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Similars

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



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021796
PNG
(CHEMBL3299094)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C19H31N3O3/c1-19(2,3)25-18(23)20-10-7-11-21-12-14-22(15-13-21)16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-15H2,1-4H3,(H,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.390n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Partial agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as induction of ERK1/2 phosphorylation by AlphaScreen assay


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair