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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 = 'BDBM50415557'   
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)		BDBM50415557
PNG
(CHEMBL599738)
Show SMILES CCCc1nc(oc1C(=O)NCCN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-4-19-20(32-22(28-19)17-5-7-18(24)8-6-17)21(31)25-11-12-29-13-15-30(16-14-29)23-26-9-3-10-27-23/h3,5-10H,2,4,11-16H2,1H3,(H,25,31)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/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