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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50054131'   
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))
BDBM50054131
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-2,3-dihydro-1H-pyrrol...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2cc3ccccc3[nH]c12
Show InChI InChI=1S/C31H38ClN3O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)29(36)22-28-30-26(21-23-13-9-10-14-27(23)33-30)31(37)35(28)25-17-15-24(32)16-18-25/h9-10,13-18,21,33H,3-8,11-12,19-20,22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+3n/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))
BDBM50054131
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-2,3-dihydro-1H-pyrrol...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2cc3ccccc3[nH]c12
Show InChI InChI=1S/C31H38ClN3O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)29(36)22-28-30-26(21-23-13-9-10-14-27(23)33-30)31(37)35(28)25-17-15-24(32)16-18-25/h9-10,13-18,21,33H,3-8,11-12,19-20,22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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