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BDBM271911 US10065941, Compound R-226

SMILES: COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O

InChI Key: InChIKey=NRPWMDSRMHLJBB-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 271911   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p2x3


(Homo sapiens (human))
BDBM271911
PNG
(US10065941, Compound R-226)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H25N5O5/c1-18-6-8-19(9-7-18)17-31-24(29-25(33)30(26(31)34)16-14-23(32)35-2)28-20-10-12-21(13-11-20)36-22-5-3-4-15-27-22/h3-13,15H,14,16-17H2,1-2H3,(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 US10065941 (2018)

More data for this
Ligand-Target Pair