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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50527843'   
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
Translocator protein


(Homo sapiens (Human))
BDBM50527843
PNG
(CHEMBL4537118)
Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C25H21Cl2N5O2S/c26-14-3-1-2-13(10-14)8-9-28-24-20-25(31-19(30-24)7-5-15-4-6-18(27)35-15)32(12-29-20)21-16-11-17(16)22(33)23(21)34/h1-4,6,10,12,16-17,21-23,33-34H,8-9,11H2,(H,28,30,31)/t16-,17+,21+,22+,23-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


J Med Chem 63: 4334-4348 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH
More data for this
Ligand-Target Pair