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SMILES: COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=UDKRZHKBWBJIRH-UHFFFAOYSA-N

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 4 hits for monomerid = 183110   
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))
BDBM183110
PNG
(US9150546, I-248 | US9688643, I-248 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN4O4/c1-13(2)26-20(28)24-19(23-17-10-6-15(7-11-17)18(27)30-3)25(21(26)29)12-14-4-8-16(22)9-5-14/h4-11,13H,12H2,1-3H3,(H,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 420n/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))
BDBM183110
PNG
(US9150546, I-248 | US9688643, I-248 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN4O4/c1-13(2)26-20(28)24-19(23-17-10-6-15(7-11-17)18(27)30-3)25(21(26)29)12-14-4-8-16(22)9-5-14/h4-11,13H,12H2,1-3H3,(H,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 420n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183110
PNG
(US9150546, I-248 | US9688643, I-248 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN4O4/c1-13(2)26-20(28)24-19(23-17-10-6-15(7-11-17)18(27)30-3)25(21(26)29)12-14-4-8-16(22)9-5-14/h4-11,13H,12H2,1-3H3,(H,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 420n/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)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183110
PNG
(US9150546, I-248 | US9688643, I-248 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN4O4/c1-13(2)26-20(28)24-19(23-17-10-6-15(7-11-17)18(27)30-3)25(21(26)29)12-14-4-8-16(22)9-5-14/h4-11,13H,12H2,1-3H3,(H,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 420n/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