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BDBM265937 US9718790, I-0672

SMILES: CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CCc2ncn[nH]2)c(=O)n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=GXAFLNJRFCAUCP-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 = 265937   
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))
BDBM265937
PNG
(US9718790, I-0672)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CCc2ncn[nH]2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClFN7O3/c1-14(2)35-19-8-7-17(11-18(19)25)28-21-29-22(33)31(10-9-20-26-13-27-30-20)23(34)32(21)12-15-3-5-16(24)6-4-15/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,27,30)(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8n/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)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair