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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 = 'BDBM50413397'   
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)		BDBM50413397
PNG
(CHEMBL492967)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
Show InChI InChI=1S/C15H20N4O4S/c1-8(2)9-5-11(22-3)13(24(4,20)21)6-10(9)23-12-7-18-15(17)19-14(12)16/h5-8H,1-4H3,(H4,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
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 recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair