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BDBM246670 US9550763, Compound I-323

SMILES: COC(=O)[C@H](C)[C@H](C)n1c(=O)cc(Nc2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=NEVJWIAMHHGRSK-ZVOYONDMNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 246670   
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))
BDBM246670
PNG
(US9550763, Compound I-323)
Show SMILES COC(=O)[C@H](C)[C@H](C)n1c(=O)cc(Nc2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C28H26ClFN4O5/c1-17(27(36)38-3)18(2)34-26(35)14-24(33(28(34)37)16-19-4-6-20(29)7-5-19)32-22-9-11-23(12-10-22)39-25-13-8-21(30)15-31-25/h4-15,17-18,32H,16H2,1-3H3/t17-,18+/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/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