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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50509025'   
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))
BDBM50509025
PNG
(CHEMBL4536533)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-6-5-7-24(16-20)34-2)29(33)19-32-27-9-4-3-8-25(27)26-17-22(12-15-28(26)32)21-10-13-23(30)14-11-21/h3-17H,18-19H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/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))
BDBM50509025
PNG
(CHEMBL4536533)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25ClN2O2/c1-31(18-20-6-5-7-24(16-20)34-2)29(33)19-32-27-9-4-3-8-25(27)26-17-22(12-15-28(26)32)21-10-13-23(30)14-11-21/h3-17H,18-19H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.56E+3n/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