BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50230061'   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50230061
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C34H32N4O9S/c39-32(27-9-5-2-6-10-27)36-19-21-37(22-20-36)33(40)31(35-34(41)46-24-26-7-3-1-4-8-26)23-25-11-15-29(16-12-25)47-48(44,45)30-17-13-28(14-18-30)38(42)43/h1-18,31H,19-24H2,(H,35,41)/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor


J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50230061
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C34H32N4O9S/c39-32(27-9-5-2-6-10-27)36-19-21-37(22-20-36)33(40)31(35-34(41)46-24-26-7-3-1-4-8-26)23-25-11-15-29(16-12-25)47-48(44,45)30-17-13-28(14-18-30)38(42)43/h1-18,31H,19-24H2,(H,35,41)/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake


Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair