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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 = 'BDBM50413359'   
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)		BDBM50413359
PNG
(CHEMBL492744)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O3/c1-13(2)15-10-18(29-3)16(22)11-17(15)30-19-12-25-21(26-20(19)23)24-6-9-27-7-4-14(28)5-8-27/h10-14,28H,4-9H2,1-3H3,(H3,23,24,25,26)
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PC sid
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Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


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

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair