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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 = 'BDBM50415586'   
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)		BDBM50415586
PNG
(CHEMBL603254)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1oc(cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2/c1-21(20-32-15-17-33(18-16-32)28-29-13-8-14-30-28)31-27(34)26-24(22-9-4-2-5-10-22)19-25(35-26)23-11-6-3-7-12-23/h2-14,19,21H,15-18,20H2,1H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 631n/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