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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50229596'   
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))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
4.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to PBR in human mitochondrial tissue


J Med Chem 51: 17-30 (2008)


Article DOI: 10.1021/jm0707370
BindingDB Entry DOI: 10.7270/Q2N58M32
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50229596
PNG
(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



Universit£ degli Studi Magna Graecia di Catanzaro

Curated by ChEMBL


Assay Description
Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortex


J Med Chem 44: 1134-50 (2001)


BindingDB Entry DOI: 10.7270/Q2G161KM
More data for this
Ligand-Target Pair