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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50298708
PNG
(CHEMBL574539 | [3H]A-804598)
Show SMILES C[C@H](NC(NC#N)=Nc1cccc2ncccc12)c1ccccc1
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity at mouse P2X7 receptor


Bioorg Med Chem 17: 4861-5 (2009)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50075473
PNG
(CHEMBL3415305)
Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS-primed mouse J774.A1 cells assessed as inhibition of ATP-induced IL-1beta release after 30 mins by ELISA


J Med Chem 58: 2114-34 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50075467
PNG
(CHEMBL3415342)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS-primed mouse J774.A1 cells assessed as inhibition of ATP-induced IL-1beta release after 30 mins by ELISA


J Med Chem 58: 2114-34 (2015)

More data for this
Ligand-Target Pair