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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50041509'   
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))
BDBM50041509
PNG
(Butyric acid 5-(4-methoxy-phenyl)-6-oxo-6H-6lambda...)
Show SMILES CCCC(=O)OC1=C(c2ccc(OC)cc2)S(=O)c2ccccc2-n2cccc12 |c:6|
Show InChI InChI=1S/C23H21NO4S/c1-3-7-21(25)28-22-19-9-6-15-24(19)18-8-4-5-10-20(18)29(26)23(22)16-11-13-17(27-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 269n/an/an/an/an/an/a



Universit£ di Napoli

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor


J Med Chem 37: 4100-8 (1995)


BindingDB Entry DOI: 10.7270/Q2XD129C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041509
PNG
(Butyric acid 5-(4-methoxy-phenyl)-6-oxo-6H-6lambda...)
Show SMILES CCCC(=O)OC1=C(c2ccc(OC)cc2)S(=O)c2ccccc2-n2cccc12 |c:6|
Show InChI InChI=1S/C23H21NO4S/c1-3-7-21(25)28-22-19-9-6-15-24(19)18-8-4-5-10-20(18)29(26)23(22)16-11-13-17(27-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptor


J Med Chem 37: 1427-38 (1994)


BindingDB Entry DOI: 10.7270/Q2668DVR
More data for this
Ligand-Target Pair