BindingDB logo
myBDB logout

BDBM183074 US9150546, I-116::US9688643, I-116::US9718790, I-0116

SMILES: CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(C)cc2)c1=O

InChI Key: InChIKey=WTXITHIOEDHEDI-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 = 183074   
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))
BDBM183074
PNG
(US9150546, I-116 | US9688643, I-116 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H26N4O3/c1-18(2)30-25(31)28-24(29(26(30)32)17-20-11-9-19(3)10-12-20)27-21-13-15-23(16-14-21)33-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 484n/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))
BDBM183074
PNG
(US9150546, I-116 | US9688643, I-116 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H26N4O3/c1-18(2)30-25(31)28-24(29(26(30)32)17-20-11-9-19(3)10-12-20)27-21-13-15-23(16-14-21)33-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 484n/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))
BDBM183074
PNG
(US9150546, I-116 | US9688643, I-116 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H26N4O3/c1-18(2)30-25(31)28-24(29(26(30)32)17-20-11-9-19(3)10-12-20)27-21-13-15-23(16-14-21)33-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 484n/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