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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 = 'BDBM50185958'   
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))
BDBM50185958
PNG
(CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...)
Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185958
PNG
(CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...)
Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.310n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
More data for this
Ligand-Target Pair