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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 = 'BDBM50532066'   
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))		BDBM50532066
PNG
(CHEMBL4537290)
Show SMILES CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:5|
Show InChI InChI=1S/C26H25NO5S/c1-16(2)24(29)22-23(20-5-3-4-6-21(20)32-13-12-28)27(26(31)25(22)30)19-9-7-17(8-10-19)18-11-14-33-15-18/h3-11,14-16,23,28,30H,12-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay

Bioorg Med Chem Lett 29: 688-693 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.039
BindingDB Entry DOI: 10.7270/Q23F4T48
More data for this
Ligand-Target Pair