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BDBM244300 US9550763, Compound I-048

SMILES: CCc1oc2ccc(cc2c1C)\N=c1/[nH]cc(\C=N\N2CCOCC2)c(=O)n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=NPBMAUFHGNJHMQ-OKCVXOCRSA-N

Data: 1 IC50

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   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 = 244300   
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))
BDBM244300
PNG
(US9550763, Compound I-048)
Show SMILES CCc1oc2ccc(cc2c1C)\N=c1/[nH]cc(\C=N\N2CCOCC2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O3/c1-3-24-18(2)23-14-22(8-9-25(23)36-24)31-27-29-15-20(16-30-32-10-12-35-13-11-32)26(34)33(27)17-19-4-6-21(28)7-5-19/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,29,31)/b30-16+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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