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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 = 'BDBM50143232'   
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))
BDBM50143232
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 51: 5798-806 (2008)


Article DOI: 10.1021/jm8003224
BindingDB Entry DOI: 10.7270/Q2GF0VD5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143232
PNG
(2-(5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-3-11-26(12-4-2)22(28)21(27)19-17-13-16(24)9-10-18(17)25-20(19)14-5-7-15(23)8-6-14/h5-10,13,25H,3-4,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane


J Med Chem 47: 1852-5 (2004)


Article DOI: 10.1021/jm030973k
BindingDB Entry DOI: 10.7270/Q2WQ04K6
More data for this
Ligand-Target Pair