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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 1' and Ligand = 'BDBM50102301'   
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 1


(RAT)		BDBM50102301
PNG
(4-[4-Formyl-5-hydroxy-6-methyl-3-(2-phosphono-ethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CCP(O)(O)=O)c(C=O)c1O |w:5.5|
Show InChI InChI=1S/C16H16N3O7P/c1-9-14(21)13(8-20)12(6-7-27(24,25)26)15(17-9)19-18-11-4-2-10(3-5-11)16(22)23/h2-5,8,21H,6-7H2,1H3,(H,22,23)(H2,24,25,26)
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PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes

J Med Chem 44: 340-9 (2001)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair