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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 = 'BDBM50413363'   
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)		BDBM50413363
PNG
(CHEMBL492299)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 100n/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