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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50509029'   
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))
BDBM50509029
PNG
(CHEMBL4554031)
Show SMILES O=C(Cn1c2ccccc2c2ccccc12)NCc1ccccc1
Show InChI InChI=1S/C21H18N2O/c24-21(22-14-16-8-2-1-3-9-16)15-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1-13H,14-15H2,(H,22,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509029
PNG
(CHEMBL4554031)
Show SMILES O=C(Cn1c2ccccc2c2ccccc12)NCc1ccccc1
Show InChI InChI=1S/C21H18N2O/c24-21(22-14-16-8-2-1-3-9-16)15-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1-13H,14-15H2,(H,22,24)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair