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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 = 'BDBM244375'   
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))		BDBM244375
PNG
(US9550763, Compound I-127)
Show SMILES C[C@@H](Cn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C27H21ClFN5O5/c1-16(26(36)37)14-34-25(35)12-23(33(27(34)38)15-17-5-7-18(28)8-6-17)31-19-9-10-22(21(29)11-19)39-24-4-2-3-20(13-30)32-24/h2-12,16,31H,14-15H2,1H3,(H,36,37)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...

US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair