BindingDB logo
myBDB logout

BDBM105812 US8575197, I-322

SMILES: CC(C)C(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)-c1csc(C)c1)c1ccccc1OC(F)(F)F

InChI Key: InChIKey=AGQIFRRDOLHEFN-UHFFFAOYNA-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 = 105812   
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))
BDBM105812
PNG
(US8575197, I-322)
Show SMILES CC(C)C(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)-c1csc(C)c1)c1ccccc1OC(F)(F)F
Show InChI InChI=1/C26H22F3NO4S/c1-14(2)23(31)21-22(19-6-4-5-7-20(19)34-26(27,28)29)30(25(33)24(21)32)18-10-8-16(9-11-18)17-12-15(3)35-13-17/h4-14,21-22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 102n/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)


BindingDB Entry DOI: 10.7270/Q2CN72KP
More data for this
Ligand-Target Pair