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Compile Data Set for Download or QSAR

Found 6 hits of ph data with Target = 'p2x3 + hsa'   
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
p2x3 + hsa


(Homo sapiens (human))
BDBM271518
PNG
(US10065941, Compound I-019)
Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClFN5O5/c27-17-3-1-15(2-4-17)14-32-24(31-25(36)33(26(32)37)20-11-16(12-20)23(34)35)30-19-6-8-21(9-7-19)38-22-10-5-18(28)13-29-22/h1-10,13,16,20H,11-12,14H2,(H,34,35)(H,30,31,36)/t16-,20-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 68n/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)

More data for this
Ligand-Target Pair
p2x3 + hsa


(Homo sapiens (human))
BDBM271539
PNG
(US10065941, Compound I-040 | US10065941, Compound ...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H24FN5O5/c1-16-3-5-18(6-4-16)15-31-24(30-25(35)32(26(31)36)14-17(2)23(33)34)29-20-8-10-21(11-9-20)37-22-12-7-19(27)13-28-22/h3-13,17H,14-15H2,1-2H3,(H,33,34)(H,29,30,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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)

More data for this
Ligand-Target Pair
p2x3 + hsa


(Homo sapiens (human))
BDBM271808
PNG
(US10065941, Compound R-123)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H21ClN6O5/c1-16(23(34)35)14-33-25(36)31-24(32(26(33)37)15-17-2-4-18(27)5-3-17)30-19-6-8-21(9-7-19)38-22-10-11-29-20(12-22)13-28/h2-12,16H,14-15H2,1H3,(H,34,35)(H,30,31,36)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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)

More data for this
Ligand-Target Pair
p2x3 + hsa


(Homo sapiens (human))
BDBM271569
PNG
(US10065941, Compound I-070)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(F)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C25H21ClFN5O5/c1-15(22(33)34)13-32-24(35)30-23(31(25(32)36)14-16-2-4-17(26)5-3-16)29-19-6-8-20(9-7-19)37-21-12-18(27)10-11-28-21/h2-12,15H,13-14H2,1H3,(H,33,34)(H,29,30,35)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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)

More data for this
Ligand-Target Pair
p2x3 + hsa


(Homo sapiens (human))
BDBM271578
PNG
(US10065941, Compound I-079)
Show SMILES COc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C26H24ClN5O6/c1-16(23(33)34)14-32-25(35)30-24(31(26(32)36)15-17-3-5-18(27)6-4-17)29-19-7-9-20(10-8-19)38-22-12-11-21(37-2)13-28-22/h3-13,16H,14-15H2,1-2H3,(H,33,34)(H,29,30,35)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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)

More data for this
Ligand-Target Pair
p2x3 + hsa


(Homo sapiens (human))
BDBM271555
PNG
(US10065941, Compound I-056)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3F)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H24FN5O5/c1-16-5-7-18(8-6-16)15-31-24(30-25(35)32(26(31)36)14-17(2)23(33)34)29-19-9-11-20(12-10-19)37-22-21(27)4-3-13-28-22/h3-13,17H,14-15H2,1-2H3,(H,33,34)(H,29,30,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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)

More data for this
Ligand-Target Pair