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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 = 'BDBM271634'   
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))
BDBM271634
PNG
(US10065941, Compound I-135 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H25F2N5O6/c1-16-3-5-18(6-4-16)15-33-25(32-26(37)34(27(33)38)14-17(2)23(35)36)31-19-7-9-20(10-8-19)39-22-12-11-21(13-30-22)40-24(28)29/h3-13,17,24H,14-15H2,1-2H3,(H,35,36)(H,31,32,37)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/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 US9732060 (2017)

More data for this
Ligand-Target Pair