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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50530575'   
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))
BDBM50530575
PNG
(CHEMBL4463620)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530575
PNG
(CHEMBL4463620)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair