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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50410957'   
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))
BDBM50410957
PNG
(CHEMBL380239)
Show SMILES Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.8n/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))
BDBM50410957
PNG
(CHEMBL380239)
Show SMILES Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.8n/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


(Homo sapiens (Human))
BDBM50410957
PNG
(CHEMBL380239)
Show SMILES Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17.8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium product...


Bioorg Med Chem Lett 21: 3297-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.024
BindingDB Entry DOI: 10.7270/Q2FJ2J10
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410957
PNG
(CHEMBL380239)
Show SMILES Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63.1n/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
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410957
PNG
(CHEMBL380239)
Show SMILES Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69.2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium productio...


Bioorg Med Chem Lett 21: 3297-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.024
BindingDB Entry DOI: 10.7270/Q2FJ2J10
More data for this
Ligand-Target Pair