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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50110172'   
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))
BDBM50110172
PNG
(CHEMBL3604427)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-6-5-11(21)7-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110172
PNG
(CHEMBL3604427)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-6-5-11(21)7-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair