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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50054134'   
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
Translocator protein


(Rattus norvegicus (rat))
BDBM50054134
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-5,6-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cccnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054134
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-5,6-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cccnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Università di Siena

Curated by ChEMBL


Assay Description
Binding affinity against peripheral benzodiazepine receptor( PBR).


J Med Chem 39: 4275-84 (1996)


Article DOI: 10.1021/jm960325j
BindingDB Entry DOI: 10.7270/Q22F7MHJ
More data for this
Ligand-Target Pair