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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 = 'BDBM272037'   
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))
BDBM272037
PNG
(US10065941, Compound I-258 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C27H26ClN5O5/c1-3-18-6-13-23(29-14-18)38-22-11-9-21(10-12-22)30-25-31-26(36)33(15-17(2)24(34)35)27(37)32(25)16-19-4-7-20(28)8-5-19/h4-14,17H,3,15-16H2,1-2H3,(H,34,35)(H,30,31,36)/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