BindingDB logo
myBDB logout

BDBM246639 US9550763, Compound I-287

SMILES: CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(=O)OC)cc2)n(Cc2ccc(Cl)cn2)c1=O

InChI Key: InChIKey=XPIIUVKXCXQJBF-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 = 246639   
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))
BDBM246639
PNG
(US9550763, Compound I-287)
Show SMILES CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(=O)OC)cc2)n(Cc2ccc(Cl)cn2)c1=O
Show InChI InChI=1S/C26H23ClN6O5/c1-3-23(34)32-22-14-30-26(33(24(22)35)15-18-5-4-16(27)13-29-18)31-17-6-8-19(9-7-17)38-20-10-11-28-21(12-20)25(36)37-2/h4-14H,3,15H2,1-2H3,(H,30,31)(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 356n/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