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BDBM183073 US9150546, I-097::US9688643, I-097::US9718790, I-0097

SMILES: Cc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(c2=O)C(C)(C)C)cc1

InChI Key: InChIKey=GSQTVLOBZSWCFK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 183073   
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))
BDBM183073
PNG
(US9150546, I-097 | US9688643, I-097 | US9718790, I...)
Show SMILES Cc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(c2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H23F3N4O2/c1-14-8-10-15(11-9-14)13-28-18(27-19(30)29(20(28)31)21(2,3)4)26-17-7-5-6-16(12-17)22(23,24)25/h5-12H,13H2,1-4H3,(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 505n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183073
PNG
(US9150546, I-097 | US9688643, I-097 | US9718790, I...)
Show SMILES Cc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(c2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H23F3N4O2/c1-14-8-10-15(11-9-14)13-28-18(27-19(30)29(20(28)31)21(2,3)4)26-17-7-5-6-16(12-17)22(23,24)25/h5-12H,13H2,1-4H3,(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 505n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM183073
PNG
(US9150546, I-097 | US9688643, I-097 | US9718790, I...)
Show SMILES Cc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(c2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C22H23F3N4O2/c1-14-8-10-15(11-9-14)13-28-18(27-19(30)29(20(28)31)21(2,3)4)26-17-7-5-6-16(12-17)22(23,24)25/h5-12H,13H2,1-4H3,(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 505n/an/an/an/an/an/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 US9688643 (2017)


BindingDB Entry DOI: 10.7270/Q2M32SZ2
More data for this
Ligand-Target Pair