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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50255226'   
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


(Rattus norvegicus (rat))
BDBM50255226
PNG
((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
0.830n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO


Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50255226
PNG
((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 3n/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SSR180575 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)


Article DOI: 10.1021/jm8011678
BindingDB Entry DOI: 10.7270/Q2222VP0
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50255226
PNG
((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
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n/an/an/a 3.5n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to human PBR


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
BindingDB Entry DOI: 10.7270/Q26Q1Z4G
More data for this
Ligand-Target Pair