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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 = 'BDBM50118244'   
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)		BDBM50118244
PNG
(CHEMBL131091 | PPNDS)
Show SMILES Cc1nc(N=Nc2cc(c3cc(cc(c3c2)S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O)c(CO[P+](O)(O)[O-])c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)
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PubMed
n/an/an/an/a 14n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1)

J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair