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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 = 'BDBM50120355'   
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))
BDBM50120355
PNG
(3-[(S)-7-Chloro-5-(2-fluoro-phenyl)-2-(2-pyridin-4...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCc1ccncc1 |c:25,t:7|
Show InChI InChI=1S/C26H24ClFN4O2/c1-34-24(33)9-8-23-26(30-15-12-17-10-13-29-14-11-17)32-22-7-6-18(27)16-20(22)25(31-23)19-4-2-3-5-21(19)28/h2-7,10-11,13-14,16,23H,8-9,12,15H2,1H3,(H,30,32)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
792n/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