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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 = 'BDBM50410942'   
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))
BDBM50410942
PNG
(CHEMBL207525)
Show SMILES Fc1ccc(c(Cl)c1Cl)-n1nnnc1Cc1cccnc1
Show InChI InChI=1S/C13H8Cl2FN5/c14-12-9(16)3-4-10(13(12)15)21-11(18-19-20-21)6-8-2-1-5-17-7-8/h1-5,7H,6H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25.1n/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


(Rattus norvegicus (Rat))
BDBM50410942
PNG
(CHEMBL207525)
Show SMILES Fc1ccc(c(Cl)c1Cl)-n1nnnc1Cc1cccnc1
Show InChI InChI=1S/C13H8Cl2FN5/c14-12-9(16)3-4-10(13(12)15)21-11(18-19-20-21)6-8-2-1-5-17-7-8/h1-5,7H,6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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