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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM271501'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271501
PNG
(US10065941, Compound I-002 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271501
PNG
(US10065941, Compound I-002 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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
P2X purinoceptor 3


(RAT)
BDBM271501
PNG
(US10065941, Compound I-002 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate ...


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM271501
PNG
(US10065941, Compound I-002 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate ...


US Patent US10065941 (2018)


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