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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 = 'BDBM50379710'   
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


(Homo sapiens (Human))		BDBM50379710
PNG
(CHEMBL2011119)
Show SMILES COc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C24H32N6O3/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)17(4)31)27-22(20)25-16(3)18-6-8-19(33-5)9-7-18/h6-9,15-16H,10-14H2,1-5H3,(H,25,26,27)/t16-/m1/s1
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PC sid
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Similars
Article
PubMed
n/an/a 2.52E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by...

Bioorg Med Chem Lett 22: 2565-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF
More data for this
Ligand-Target Pair