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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 2' and Ligand = 'BDBM50413364'   
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 2


(Homo sapiens (Human))		BDBM50413364
PNG
(CHEMBL492300)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
Show InChI InChI=1S/C16H21IN4O3/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-20-16(19-4-5-22)21-15(14)18/h6-9,22H,4-5H2,1-3H3,(H3,18,19,20,21)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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