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BDBM264738 US9718790, I-0902

SMILES: CCOC(=O)C1(CN2CN\C(=N/c3ccc(OC(C)C)c(Cl)c3)N(Cc3ccc(C)cc3)C2=O)CC1

InChI Key: InChIKey=YFYHHMZWRCJBMK-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 = 264738   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM264738
PNG
(US9718790, I-0902)
Show SMILES CCOC(=O)C1(CN2CN\C(=N/c3ccc(OC(C)C)c(Cl)c3)N(Cc3ccc(C)cc3)C2=O)CC1
Show InChI InChI=1S/C27H33ClN4O4/c1-5-35-24(33)27(12-13-27)16-31-17-29-25(30-21-10-11-23(22(28)14-21)36-18(2)3)32(26(31)34)15-20-8-6-19(4)7-9-20/h6-11,14,18H,5,12-13,15-17H2,1-4H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a7.5n/a



Shionogi & Co., Ltd

US Patent


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


US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair