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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM50415583'   
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 3


(RAT)		BDBM50415583
PNG
(CHEMBL597110)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1
Show InChI InChI=1S/C24H27N7OS/c1-17(16-30-11-13-31(14-12-30)24-25-9-6-10-26-24)27-22(32)20-15-19-21(18-7-4-3-5-8-18)28-29(2)23(19)33-20/h3-10,15,17H,11-14,16H2,1-2H3,(H,27,32)
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair