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BDBM265784 US9718790, I-0620

SMILES: CCCCc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@H](C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=XTKYAKSZUOCYFN-AGDOHHJYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 265784   
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))
BDBM265784
PNG
(US9718790, I-0620)
Show SMILES CCCCc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@H](C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1/C25H29ClN4O4/c1-4-5-6-18-9-13-21(14-10-18)27-23-28-24(32)30(15-17(2)22(31)34-3)25(33)29(23)16-19-7-11-20(26)12-8-19/h7-14,17H,4-6,15-16H2,1-3H3,(H,27,28,32)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 44n/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