BindingDB logo
myBDB logout

Patent code US9732060

Compile Data Set for Download or QSAR

Found 560 hits of Enzyme Inhibition Constant Data   
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))
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

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272015
PNG
(US10065941, Compound R-313 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClN6O5/c1-2-37-23(34)16-33-25(35)31-24(32(26(33)36)15-17-3-6-19(27)7-4-17)30-20-8-10-21(11-9-20)38-22-12-5-18(13-28)14-29-22/h3-12,14H,2,15-16H2,1H3,(H,30,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271936
PNG
(US10065941, Compound R-254 | US9732060, Compound R...)
Show SMILES OCC(=C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O4/c1-17(16-32)14-31-24(33)29-23(30(25(31)34)15-18-5-7-19(26)8-6-18)28-20-9-11-21(12-10-20)35-22-4-2-3-13-27-22/h2-13,32H,1,14-16H2,(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271946
PNG
(US10065941, Compound I-203 | US9732060, Compound I...)
Show SMILES CO[C@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)OC
Show InChI InChI=1S/C26H24ClN5O6/c1-36-21(23(33)37-2)16-32-25(34)30-24(31(26(32)35)15-17-6-8-18(27)9-7-17)29-19-10-12-20(13-11-19)38-22-5-3-4-14-28-22/h3-14,21H,15-16H2,1-2H3,(H,29,30,34)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271997
PNG
(US10065941, Compound R-303 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClN5O6/c1-17(34)19-5-12-23(29-15-19)39-22-10-8-21(9-11-22)30-25-31-26(36)32(14-13-24(35)38-2)27(37)33(25)16-18-3-6-20(28)7-4-18/h3-12,15H,13-14,16H2,1-2H3,(H,30,31,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271639
PNG
(US10065941, Compound I-140 | US9732060, Compound I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H27N5O5/c1-18-7-9-20(10-8-18)17-31-25(30-26(34)32(27(31)35)16-19(2)24(33)36-3)29-21-11-13-22(14-12-21)37-23-6-4-5-15-28-23/h4-15,19H,16-17H2,1-3H3,(H,29,30,34)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271918
PNG
(US10065941, Compound R-234 | US9732060, Compound R...)
Show SMILES CC1(C)OC[C@H](Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)O1
Show InChI InChI=1S/C27H26ClN5O5/c1-27(2)36-17-22(38-27)16-33-25(34)31-24(32(26(33)35)15-18-6-8-19(28)9-7-18)30-20-10-12-21(13-11-20)37-23-5-3-4-14-29-23/h3-14,22H,15-17H2,1-2H3,(H,30,31,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272047
PNG
(US10065941, Compound I-268 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(CC2CC3(CCC3)C2)c1=O
Show InChI InChI=1S/C27H31N5O5/c1-18(23(33)36-2)16-32-25(34)30-24(31(26(32)35)17-19-14-27(15-19)11-5-12-27)29-20-7-9-21(10-8-20)37-22-6-3-4-13-28-22/h3-4,6-10,13,18-19H,5,11-12,14-17H2,1-2H3,(H,29,30,34)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271911
PNG
(US10065941, Compound R-226 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H25N5O5/c1-18-6-8-19(9-7-18)17-31-24(29-25(33)30(26(31)34)16-14-23(32)35-2)28-20-10-12-21(13-11-20)36-22-5-3-4-15-27-22/h3-13,15H,14,16-17H2,1-2H3,(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272046
PNG
(US10065941, Compound I-267 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C29H29N5O6/c1-18-5-7-21(8-6-18)17-33-27(32-28(37)34(29(33)38)16-19(2)26(36)39-4)31-23-10-12-24(13-11-23)40-25-14-9-22(15-30-25)20(3)35/h5-15,19H,16-17H2,1-4H3,(H,31,32,37)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271788
PNG
(US10065941, Compound R-099 | US9732060, Compound R...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H23ClN6O5/c1-17(24(35)38-2)15-34-26(36)32-25(33(27(34)37)16-18-3-5-19(28)6-4-18)31-20-7-9-22(10-8-20)39-23-11-12-30-21(13-23)14-29/h3-13,17H,15-16H2,1-2H3,(H,31,32,36)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271607
PNG
(US10065941, Compound I-108 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H29N5O5/c1-18-5-8-21(9-6-18)17-32-26(31-27(35)33(28(32)36)16-20(3)25(34)37-4)30-22-10-12-23(13-11-22)38-24-14-7-19(2)15-29-24/h5-15,20H,16-17H2,1-4H3,(H,30,31,35)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271609
PNG
(US10065941, Compound I-110 | US9732060, Compound I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C29H31N5O5/c1-19-6-9-21(10-7-19)17-33-26(32-27(36)34(28(33)37)18-29(3,4)25(35)38-5)31-22-11-13-23(14-12-22)39-24-15-8-20(2)16-30-24/h6-16H,17-18H2,1-5H3,(H,31,32,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
ratp2x3


(RAT)
BDBM271665
PNG
(US10065941, Compound R-009 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n([C@@H](C)[C@@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C27H26ClN5O6/c1-16(24(34)35)17(2)33-26(36)31-25(32(27(33)37)15-18-4-6-19(28)7-5-18)30-20-8-10-21(11-9-20)39-22-12-13-29-23(14-22)38-3/h4-14,16-17H,15H2,1-3H3,(H,34,35)(H,30,31,36)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271634
PNG
(US10065941, Compound I-135 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H25F2N5O6/c1-16-3-5-18(6-4-16)15-33-25(32-26(37)34(27(33)38)14-17(2)23(35)36)31-19-7-9-20(10-8-19)39-22-12-11-21(13-30-22)40-24(28)29/h3-13,17,24H,14-15H2,1-2H3,(H,35,36)(H,31,32,37)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272037
PNG
(US10065941, Compound I-258 | US9732060, Compound I...)
Show SMILES CCc1ccc(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/C27H26ClN5O5/c1-3-18-6-13-23(29-14-18)38-22-11-9-21(10-12-22)30-25-31-26(36)33(15-17(2)24(34)35)27(37)32(25)16-19-4-7-20(28)8-5-19/h4-14,17H,3,15-16H2,1-2H3,(H,34,35)(H,30,31,36)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272048
PNG
(US10065941, Compound I-269 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(CC2CC3(CCC3)C2)c1=O
Show InChI InChI=1S/C27H30FN5O5/c1-17(23(34)37-2)15-33-25(35)31-24(32(26(33)36)16-18-12-27(13-18)10-3-11-27)30-20-5-7-21(8-6-20)38-22-9-4-19(28)14-29-22/h4-9,14,17-18H,3,10-13,15-16H2,1-2H3,(H,30,31,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272049
PNG
(US10065941, Compound I-270 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(=O)OC)c(=O)n2Cc2ccc(C)cc2)nc1
Show InChI InChI=1S/C29H31N5O5/c1-5-21-10-15-25(30-16-21)39-24-13-11-23(12-14-24)31-27-32-28(36)34(17-20(3)26(35)38-4)29(37)33(27)18-22-8-6-19(2)7-9-22/h6-16,20H,5,17-18H2,1-4H3,(H,31,32,36)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272007
PNG
(US10065941, Compound R-309 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O5/c1-2-36-22(33)15-32-24(34)30-23(31(25(32)35)14-16-3-5-17(26)6-4-16)29-19-8-10-20(11-9-19)37-21-12-7-18(27)13-28-21/h3-13H,2,14-15H2,1H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271649
PNG
(US10065941, Compound I-150 | US9732060, Compound I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H29N5O5/c1-19-8-10-20(11-9-19)17-32-25(31-26(35)33(27(32)36)18-28(2,3)24(34)37-4)30-21-12-14-22(15-13-21)38-23-7-5-6-16-29-23/h5-16H,17-18H2,1-4H3,(H,30,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM334479
PNG
(US9732060, Compound R-006)
Show SMILES Cc1ccc(Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C(=O)Nc3ccc(cc3)C(O)=O)cc2)cc1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271711
PNG
(US10065941, Compound R-032 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)ccn1
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)38-21-11-12-28-22(13-21)37-2/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 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271920
PNG
(US10065941, Compound R-236 | US9732060, Compound R...)
Show SMILES CC1(C)OCC(C)(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CO1
Show InChI InChI=1S/C29H30ClN5O5/c1-28(2)38-18-29(3,19-39-28)17-35-26(36)33-25(34(27(35)37)16-20-7-9-21(30)10-8-20)32-22-11-13-23(14-12-22)40-24-6-4-5-15-31-24/h4-15H,16-19H2,1-3H3,(H,32,33,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271984
PNG
(US10065941, Compound I-222 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H29N5O6/c1-18-5-7-20(8-6-18)17-32-26(31-27(35)33(28(32)36)16-19(2)25(34)38-4)30-21-9-11-22(12-10-21)39-24-14-13-23(37-3)15-29-24/h5-15,19H,16-17H2,1-4H3,(H,30,31,35)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271626
PNG
(US10065941, Compound I-127 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272056
PNG
(US10065941, Compound I-277 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)S(C)(=O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H26ClN5O7S/c1-17(24(34)39-2)15-33-26(35)31-25(32(27(33)36)16-18-4-6-19(28)7-5-18)30-20-8-10-21(11-9-20)40-23-13-12-22(14-29-23)41(3,37)38/h4-14,17H,15-16H2,1-3H3,(H,30,31,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271655
PNG
(US10065941, Compound R-003 | US9732060, Compound R...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C28H20ClN5O5/c29-21-7-4-17(5-8-21)16-34-26(32-27(37)33-28(34)38)31-22-9-11-23(12-10-22)39-24-13-6-20(15-30-24)18-2-1-3-19(14-18)25(35)36/h1-15H,16H2,(H,35,36)(H2,31,32,33,37,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271749
PNG
(US10065941, Compound R-058 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc(F)n1
Show InChI InChI=1S/C26H23ClFN5O6/c1-15(23(34)35)13-33-25(36)31-24(32(26(33)37)14-16-3-5-17(27)6-4-16)29-18-7-9-19(10-8-18)39-20-11-21(28)30-22(12-20)38-2/h3-12,15H,13-14H2,1-2H3,(H,34,35)(H,29,31,36)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271910
PNG
(US10065941, Compound R-225 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O5/c1-35-22(32)13-15-30-24(33)29-23(31(25(30)34)16-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-14-27-21/h2-12,14H,13,15-16H2,1H3,(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271599
PNG
(US10065941, Compound I-100 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H24ClN5O5/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 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271535
PNG
(US10065941, Compound I-036 | US10065941, Compound ...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H26FN5O5/c1-17-4-6-19(7-5-17)16-32-25(31-26(35)33(27(32)36)15-18(2)24(34)37-3)30-21-9-11-22(12-10-21)38-23-13-8-20(28)14-29-23/h4-14,18H,15-16H2,1-3H3,(H,30,31,35)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272054
PNG
(US10065941, Compound I-275 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(C)cc2)nc1
Show InChI InChI=1S/C28H29N5O5/c1-4-20-9-14-24(29-15-20)38-23-12-10-22(11-13-23)30-26-31-27(36)33(16-19(3)25(34)35)28(37)32(26)17-21-7-5-18(2)6-8-21/h5-15,19H,4,16-17H2,1-3H3,(H,34,35)(H,30,31,36)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271975
PNG
(US10065941, Compound R-292 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H24FN5O5/c1-17-6-8-18(9-7-17)16-32-24(30-25(34)31(26(32)35)14-12-23(33)36-2)29-19-10-11-21(20(27)15-19)37-22-5-3-4-13-28-22/h3-11,13,15H,12,14,16H2,1-2H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271928
PNG
(US10065941, Compound R-244 | US9732060, Compound R...)
Show SMILES CC(CO)(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H26ClN5O5/c1-26(16-33,17-34)15-32-24(35)30-23(31(25(32)36)14-18-5-7-19(27)8-6-18)29-20-9-11-21(12-10-20)37-22-4-2-3-13-28-22/h2-13,33-34H,14-17H2,1H3,(H,29,30,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271948
PNG
(US10065941, Compound I-204 | US10065941, Compound ...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H26FN5O5/c1-17-7-9-19(10-8-17)16-32-25(31-26(35)33(27(32)36)15-18(2)24(34)37-3)30-20-11-12-22(21(28)14-20)38-23-6-4-5-13-29-23/h4-14,18H,15-16H2,1-3H3,(H,30,31,35)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271541
PNG
(US10065941, Compound I-042 | US9732060, Compound I...)
Show SMILES OCC1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1
Show InChI InChI=1S/C26H23ClFN5O5/c27-18-6-4-17(5-7-18)12-32-23(31-24(35)33(25(32)36)13-26(14-34)15-37-16-26)29-19-8-10-20(11-9-19)38-22-3-1-2-21(28)30-22/h1-11,34H,12-16H2,(H,29,31,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271977
PNG
(US10065941, Compound R-293 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O5/c1-36-22(33)11-13-31-24(34)30-23(32(25(31)35)15-16-5-7-17(26)8-6-16)29-18-9-10-20(19(27)14-18)37-21-4-2-3-12-28-21/h2-10,12,14H,11,13,15H2,1H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271999
PNG
(US10065941, Compound R-304 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H26ClN5O6/c1-17(34)19-5-12-23(29-15-19)39-22-10-8-21(9-11-22)30-25-31-26(36)32(14-13-24(35)38-2)27(37)33(25)16-18-3-6-20(28)7-4-18/h3-12,15,17,34H,13-14,16H2,1-2H3,(H,30,31,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272009
PNG
(US10065941, Compound R-310 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21Cl2N5O5/c1-2-36-22(33)15-32-24(34)30-23(31(25(32)35)14-16-3-5-17(26)6-4-16)29-19-8-10-20(11-9-19)37-21-12-7-18(27)13-28-21/h3-13H,2,14-15H2,1H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271521
PNG
(US10065941, Compound I-022 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H22ClF2N5O6/c1-15(22(35)36)13-34-25(37)32-24(33(26(34)38)14-16-2-4-17(27)5-3-16)31-18-6-8-19(9-7-18)39-21-11-10-20(12-30-21)40-23(28)29/h2-12,15,23H,13-14H2,1H3,(H,35,36)(H,31,32,37)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271611
PNG
(US10065941, Compound I-112 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H27N5O5/c1-17-4-7-20(8-5-17)16-31-25(30-26(35)32(27(31)36)15-19(3)24(33)34)29-21-9-11-22(12-10-21)37-23-13-6-18(2)14-28-23/h4-14,19H,15-16H2,1-3H3,(H,33,34)(H,29,30,35)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271877
PNG
(US10065941, Compound R-192 | US9732060, Compound R...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nc4ccccc4s3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H22ClN5O5S/c1-16(23(34)35)14-33-25(36)31-24(32(27(33)37)15-17-6-8-18(28)9-7-17)29-19-10-12-20(13-11-19)38-26-30-21-4-2-3-5-22(21)39-26/h2-13,16H,14-15H2,1H3,(H,34,35)(H,29,31,36)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271927
PNG
(US10065941, Compound R-243 | US9732060, Compound R...)
Show SMILES FC(F)(F)CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClF3N6O4/c26-17-6-4-16(5-7-17)13-34-22(32-18-8-10-19(11-9-18)39-21-3-1-2-12-30-21)33-23(37)35(24(34)38)14-20(36)31-15-25(27,28)29/h1-12H,13-15H2,(H,31,36)(H,32,33,37)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271929
PNG
(US10065941, Compound R-245 | US9732060, Compound R...)
Show SMILES CC1(C)OCC(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CO1
Show InChI InChI=1S/C28H28ClN5O5/c1-28(2)37-17-20(18-38-28)16-34-26(35)32-25(33(27(34)36)15-19-6-8-21(29)9-7-19)31-22-10-12-23(13-11-22)39-24-5-3-4-14-30-24/h3-14,20H,15-18H2,1-2H3,(H,31,32,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271621
PNG
(US10065941, Compound I-122 | US9732060, Compound I...)
Show SMILES CO[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)OC
Show InChI InChI=1S/C26H23ClFN5O6/c1-37-20(23(34)38-2)15-33-25(35)31-24(32(26(33)36)14-16-6-8-17(27)9-7-16)29-18-10-12-19(13-11-18)39-22-5-3-4-21(28)30-22/h3-13,20H,14-15H2,1-2H3,(H,29,31,35)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271556
PNG
(US10065941, Compound I-057 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H24FN5O5/c1-16-6-8-18(9-7-16)15-31-24(30-25(35)32(26(31)36)14-17(2)23(33)34)28-19-10-12-20(13-11-19)37-22-5-3-4-21(27)29-22/h3-13,17H,14-15H2,1-2H3,(H,33,34)(H,28,30,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271569
PNG
(US10065941, Compound I-070 | US9732060, Compound I...)
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 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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272052
PNG
(US10065941, Compound I-273 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)s2)c1=O)C(O)=O
Show InChI InChI=1S/C23H20ClN5O5S/c1-14(20(30)31)12-29-22(32)27-21(28(23(29)33)13-17-9-10-18(24)35-17)26-15-5-7-16(8-6-15)34-19-4-2-3-11-25-19/h2-11,14H,12-13H2,1H3,(H,30,31)(H,26,27,32)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271600
PNG
(US10065941, Compound I-101 | US9732060, Compound I...)
Show SMILES Cc1ccc(Cn2c(=O)n(CC(C)(C)C(O)=O)c(=O)[nH]\c2=N/c2ccc(Oc3ccc(Cl)cn3)cc2)cc1
Show InChI InChI=1S/C27H26ClN5O5/c1-17-4-6-18(7-5-17)15-32-24(31-25(36)33(26(32)37)16-27(2,3)23(34)35)30-20-9-11-21(12-10-20)38-22-13-8-19(28)14-29-22/h4-14H,15-16H2,1-3H3,(H,34,35)(H,30,31,36)
PDB

KEGG

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271623
PNG
(US10065941, Compound I-124 | US9732060, Compound I...)
Show SMILES CO[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C25H21ClFN5O6/c1-37-20(22(33)34)14-32-24(35)30-23(31(25(32)36)13-15-2-4-16(26)5-3-15)29-18-7-9-19(10-8-18)38-21-11-6-17(27)12-28-21/h2-12,20H,13-14H2,1H3,(H,33,34)(H,29,30,35)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 560 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%