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BDBM246636 US9550763, Compound I-282

SMILES: Cc1ccc(Cn2cc(C(=O)NC3CCOCC3)c(=O)nc2Nc2ccc(Oc3cccc(F)n3)cc2)cc1

InChI Key: InChIKey=ZPUVVTDTGUCHOL-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 = 246636   
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))
BDBM246636
PNG
(US9550763, Compound I-282)
Show SMILES Cc1ccc(Cn2cc(C(=O)NC3CCOCC3)c(=O)nc2Nc2ccc(Oc3cccc(F)n3)cc2)cc1
Show InChI InChI=1S/C29H28FN5O4/c1-19-5-7-20(8-6-19)17-35-18-24(27(36)31-22-13-15-38-16-14-22)28(37)34-29(35)32-21-9-11-23(12-10-21)39-26-4-2-3-25(30)33-26/h2-12,18,22H,13-17H2,1H3,(H,31,36)(H,32,34,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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