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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peripheral-Type Benzodiazepine Receptor' and Ligand = 'BDBM50120349'   
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))
BDBM50120349
PNG
(3-[(S)-7-Chloro-2-ethylamino-5-(2-fluoro-phenyl)-3...)
Show SMILES CCNC1=Nc2ccc(Cl)cc2C(=N[C@H]1CCC(=O)OC)c1ccccc1F |c:13,t:3|
Show InChI InChI=1S/C21H21ClFN3O2/c1-3-24-21-18(10-11-19(27)28-2)25-20(14-6-4-5-7-16(14)23)15-12-13(22)8-9-17(15)26-21/h4-9,12,18H,3,10-11H2,1-2H3,(H,24,26)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
146n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptor


Bioorg Med Chem Lett 12: 3219-22 (2002)


BindingDB Entry DOI: 10.7270/Q2GQ6X4F
More data for this
Ligand-Target Pair