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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 = 'BDBM50159095'   
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))
BDBM50159095
PNG
(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)C(C)c1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl3N3O/c1-4-10-27(11-5-2)22(29)14(3)20-19(15-6-8-16(23)9-7-15)26-21-18(25)12-17(24)13-28(20)21/h6-9,12-14H,4-5,10-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
701n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat cerebral cortex


J Med Chem 48: 292-305 (2005)


Article DOI: 10.1021/jm049610q
BindingDB Entry DOI: 10.7270/Q2RR1XQ0
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50159095
PNG
(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)C(C)c1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl3N3O/c1-4-10-27(11-5-2)22(29)14(3)20-19(15-6-8-16(23)9-7-15)26-21-18(25)12-17(24)13-28(20)21/h6-9,12-14H,4-5,10-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.93E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat ovary


J Med Chem 48: 292-305 (2005)


Article DOI: 10.1021/jm049610q
BindingDB Entry DOI: 10.7270/Q2RR1XQ0
More data for this
Ligand-Target Pair