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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 183089   
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))
BDBM183089
PNG
(US9150546, I-200 | US9688643, I-200 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 128n/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))
BDBM183089
PNG
(US9150546, I-200 | US9688643, I-200 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 128n/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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183089
PNG
(US9150546, I-200 | US9688643, I-200 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
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Article
PubMed
n/an/a 128n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at P2X3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128384
BindingDB Entry DOI: 10.7270/Q2S46WTX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183089
PNG
(US9150546, I-200 | US9688643, I-200 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 128n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127833
BindingDB Entry DOI: 10.7270/Q2V40ZXF
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183089
PNG
(US9150546, I-200 | US9688643, I-200 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 128n/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