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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 = 'BDBM50126728'   
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))		BDBM50126728
PNG
(CHEMBL282334 | Isoquinoline-5-sulfonic acid 4-[(S)...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C38H35N5O6S2/c1-27-6-2-3-9-35(27)42-20-22-43(23-21-42)38(44)34(41-50(45,46)36-10-4-7-29-25-39-18-16-32(29)36)24-28-12-14-31(15-13-28)49-51(47,48)37-11-5-8-30-26-40-19-17-33(30)37/h2-19,25-26,34,41H,20-24H2,1H3/t34-/m0/s1
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Article
PubMed
n/an/a 29n/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