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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 = 'BDBM50110114'   
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))
BDBM50110114
PNG
(CHEMBL3604327)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C19H15F4N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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))
BDBM50110114
PNG
(CHEMBL3604327)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C19H15F4N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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