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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peripheral-Type Benzodiazepine Receptor' and Ligand = 'BDBM50186098'   
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))
BDBM50186098
PNG
(CHEMBL3822812)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
0.280n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50186098
PNG
(CHEMBL3822812)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)

More data for this
Ligand-Target Pair