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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50527879'   
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))
BDBM50527879
PNG
(CHEMBL4450429)
Show SMILES Cl.CCOc1ccc(F)cc1C1CC1CN(CC)CCCSc1nnc(-c2ccccc2)n1C
Show InChI InChI=1S/C26H33FN4OS.ClH/c1-4-31(18-20-16-22(20)23-17-21(27)12-13-24(23)32-5-2)14-9-15-33-26-29-28-25(30(26)3)19-10-7-6-8-11-19;/h6-8,10-13,17,20,22H,4-5,9,14-16,18H2,1-3H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...


J Med Chem 63: 4579-4602 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01835
BindingDB Entry DOI: 10.7270/Q2F1935W
More data for this
Ligand-Target Pair