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BDBM246718 US9550763, Compound I-372

SMILES: Fc1cccc(Oc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)Nc3ccon3)cc2)n1

InChI Key: InChIKey=AVZCCIWFOPNLMW-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 = 246718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM246718
PNG
(US9550763, Compound I-372)
Show SMILES Fc1cccc(Oc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)Nc3ccon3)cc2)n1
Show InChI InChI=1S/C26H18ClFN6O4/c27-17-6-4-16(5-7-17)14-34-15-20(24(35)31-22-12-13-37-33-22)25(36)32-26(34)29-18-8-10-19(11-9-18)38-23-3-1-2-21(28)30-23/h1-13,15H,14H2,(H,29,32,36)(H,31,33,35)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 51n/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