BindingDB logo
myBDB logout

BDBM245190 US9550763, Compound I-226

SMILES: Clc1ccc(Cn2c(=O)c(NC(=O)c3ccon3)c[nH]\c2=N/c2ccc(Oc3ccon3)cc2)cc1

InChI Key: InChIKey=OTOWLLIXRHLTRU-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 = 245190   
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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM245190
PNG
(US9550763, Compound I-226)
Show SMILES Clc1ccc(Cn2c(=O)c(NC(=O)c3ccon3)c[nH]\c2=N/c2ccc(Oc3ccon3)cc2)cc1
Show InChI InChI=1S/C24H17ClN6O5/c25-16-3-1-15(2-4-16)14-31-23(33)20(28-22(32)19-9-11-34-29-19)13-26-24(31)27-17-5-7-18(8-6-17)36-21-10-12-35-30-21/h1-13H,14H2,(H,26,27)(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 208n/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