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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50410949'   
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))
BDBM50410949
PNG
(CHEMBL210835)
Show SMILES FC(F)(F)c1cccc(c1Cl)-n1nnnc1Cc1cccnc1
Show InChI InChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR


J Med Chem 49: 3659-66 (2006)


Article DOI: 10.1021/jm051202e
BindingDB Entry DOI: 10.7270/Q2VD70P4
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50410949
PNG
(CHEMBL210835)
Show SMILES FC(F)(F)c1cccc(c1Cl)-n1nnnc1Cc1cccnc1
Show InChI InChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410949
PNG
(CHEMBL210835)
Show SMILES FC(F)(F)c1cccc(c1Cl)-n1nnnc1Cc1cccnc1
Show InChI InChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50.1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR


J Med Chem 49: 3659-66 (2006)


Article DOI: 10.1021/jm051202e
BindingDB Entry DOI: 10.7270/Q2VD70P4
More data for this
Ligand-Target Pair