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BDBM271938 US10065941, Compound R-256::US9732060, Compound R-256

SMILES: NC(=O)NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=HRZSXWMCUMJBGW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 271938   
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))
BDBM271938
PNG
(US10065941, Compound R-256 | US9732060, Compound R...)
Show SMILES NC(=O)NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H20ClN7O5/c25-16-6-4-15(5-7-16)13-31-22(30-23(35)32(24(31)36)14-19(33)29-21(26)34)28-17-8-10-18(11-9-17)37-20-3-1-2-12-27-20/h1-12H,13-14H2,(H,28,30,35)(H3,26,29,33,34)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (Human))
BDBM271938
PNG
(US10065941, Compound R-256 | US9732060, Compound R...)
Show SMILES NC(=O)NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H20ClN7O5/c25-16-6-4-15(5-7-16)13-31-22(30-23(35)32(24(31)36)14-19(33)29-21(26)34)28-17-8-10-18(11-9-17)37-20-3-1-2-12-27-20/h1-12H,13-14H2,(H,28,30,35)(H3,26,29,33,34)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.5n/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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair