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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peripheral-Type Benzodiazepine Receptor' and Ligand = 'BDBM50122295'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122295
PNG
(CHEMBL63065 | N-(2-Fluoromethoxy-5-methoxy-benzyl)...)
Show SMILES COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122295
PNG
(CHEMBL63065 | N-(2-Fluoromethoxy-5-methoxy-benzyl)...)
Show SMILES COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro displacement of [11C]-DAA1106 from PBR (peripheral benzodiazepine receptor) of rat brain


Bioorg Med Chem Lett 13: 201-4 (2002)

More data for this
Ligand-Target Pair