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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 = 'BDBM50271820'   
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))
BDBM50271820
PNG
(1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...)
Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I
Show InChI InChI=1S/C20H18FIN2O/c1-24(12-6-11-21)20(25)18-13-14-7-2-3-8-15(14)19(23-18)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane


Bioorg Med Chem 16: 6145-55 (2008)


Article DOI: 10.1016/j.bmc.2008.04.046
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50271820
PNG
(1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-iso...)
Show SMILES CN(CCCF)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I
Show InChI InChI=1S/C20H18FIN2O/c1-24(12-6-11-21)20(25)18-13-14-7-2-3-8-15(14)19(23-18)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane


Bioorg Med Chem 16: 6145-55 (2008)


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