BindingDB logo
myBDB logout

BDBM183251 US9150546, I-422::US9688643, I-422::US9718790, I-0421

SMILES: CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1

InChI Key: InChIKey=RNAJCWWHBFPQGC-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 = 183251   
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))
BDBM183251
PNG
(US9150546, I-422 | US9688643, I-422 | US9718790, I...)
Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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 US9150546 (2015)


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


(Homo sapiens (human))
BDBM183251
PNG
(US9150546, I-422 | US9688643, I-422 | US9718790, I...)
Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183251
PNG
(US9150546, I-422 | US9688643, I-422 | US9718790, I...)
Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/an/an/a



SRMLSC

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