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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50126707'   
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))		BDBM50126707
PNG
(CHEMBL28048 | Isoquinoline-5-sulfonic acid 4-[(S)-...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C37H34N6O6S2/c1-41(50(45,46)34-8-4-6-28-25-38-18-15-31(28)34)33(37(44)43-22-20-42(21-23-43)36-10-2-3-17-40-36)24-27-11-13-30(14-12-27)49-51(47,48)35-9-5-7-29-26-39-19-16-32(29)35/h2-19,25-26,33H,20-24H2,1H3/t33-/m0/s1
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes

J Med Chem 46: 1318-29 (2003)


Article DOI: 10.1021/jm021049d
BindingDB Entry DOI: 10.7270/Q2JD4W57
More data for this
Ligand-Target Pair