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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 = 'BDBM50415571'   
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)		BDBM50415571
PNG
(CHEMBL598498)
Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1cnccn1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H29FN6O2/c1-3-4-20-22(33-24(29-20)18-5-7-19(25)8-6-18)23(32)28-17(2)16-30-11-13-31(14-12-30)21-15-26-9-10-27-21/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,28,32)/t17-/m1/s1
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Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


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

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair