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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50527989'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50527989
PNG
(CHEMBL4435730 | US11634404, Compound 82)
Show SMILES Cn1cc(C(=O)N2CCN(CCOc3cccnc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24N4O2/c1-23-16-19(18-6-2-3-7-20(18)23)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15-16H,9-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.5n/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by ChEMBL


Assay Description
Agonist activity at human D3R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidas...


J Med Chem 63: 5526-5567 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00424
BindingDB Entry DOI: 10.7270/Q28D00QN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50527989
PNG
(CHEMBL4435730 | US11634404, Compound 82)
Show SMILES Cn1cc(C(=O)N2CCN(CCOc3cccnc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24N4O2/c1-23-16-19(18-6-2-3-7-20(18)23)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15-16H,9-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9.5n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9GS8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50527989
PNG
(CHEMBL4435730 | US11634404, Compound 82)
Show SMILES Cn1cc(C(=O)N2CCN(CCOc3cccnc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H24N4O2/c1-23-16-19(18-6-2-3-7-20(18)23)21(26)25-11-9-24(10-12-25)13-14-27-17-5-4-8-22-15-17/h2-8,15-16H,9-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9.5n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9GS8
More data for this
Ligand-Target Pair