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Patent code US9550763

Compile Data Set for Download or QSAR

Found 437 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))
BDBM244381
PNG
(US9550763, Compound I-133)
Show SMILES Fc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nc1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)24(34-26(36)19-11-13-38-14-12-19)16-32-28(35)33-22-6-8-23(9-7-22)39-25-10-5-21(30)15-31-25/h1-10,15-16,19H,11-14,17H2,(H,32,33)(H,34,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244280
PNG
(US9550763, Compound I-028)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN4O5/c1-3-30-24(32)14-22(31(26(30)35)15-17-7-9-18(27)10-8-17)28-19-11-12-21(16(2)13-19)36-23-6-4-5-20(29-23)25(33)34/h4-14,28H,3,15H2,1-2H3,(H,33,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244285
PNG
(US9550763, Compound I-033)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClFN4O5/c1-2-30-23(32)13-21(31(25(30)35)14-15-6-8-16(26)9-7-15)28-17-10-11-20(18(27)12-17)36-22-5-3-4-19(29-22)24(33)34/h3-13,28H,2,14H2,1H3,(H,33,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244385
PNG
(US9550763, Compound I-137)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nn1
Show InChI InChI=1S/C28H27ClN6O4/c1-18-2-11-25(34-33-18)39-23-9-7-22(8-10-23)31-28-30-16-24(32-26(36)20-12-14-38-15-13-20)27(37)35(28)17-19-3-5-21(29)6-4-19/h2-11,16,20H,12-15,17H2,1H3,(H,30,31)(H,32,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244265
PNG
(US9550763, Compound I-013)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ncc(s3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H19ClN4O5S/c1-2-27-20(29)11-19(28(23(27)32)13-14-3-5-15(24)6-4-14)26-16-7-9-17(10-8-16)33-22-25-12-18(34-22)21(30)31/h3-12,26H,2,13H2,1H3,(H,30,31)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244391
PNG
(US9550763, Compound I-143)
Show SMILES Clc1ccc(Cn2c(=O)c(NC(=O)C3CCOCC3)c[nH]\c2=N/c2ccc(Oc3cnc(cn3)C#N)cc2)cc1
Show InChI InChI=1S/C28H24ClN7O4/c29-20-3-1-18(2-4-20)17-36-27(38)24(35-26(37)19-9-11-39-12-10-19)15-33-28(36)34-21-5-7-23(8-6-21)40-25-16-31-22(13-30)14-32-25/h1-8,14-16,19H,9-12,17H2,(H,33,34)(H,35,37)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244382
PNG
(US9550763, Compound I-134)
Show SMILES Fc1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-6-4-18(5-7-20)17-35-27(37)23(33-26(36)19-12-14-38-15-13-19)16-31-28(35)32-21-8-10-22(11-9-21)39-25-3-1-2-24(30)34-25/h1-11,16,19H,12-15,17H2,(H,31,32)(H,33,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244290
PNG
(US9550763, Compound I-038)
Show SMILES NC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C29H27ClN6O5/c30-20-6-4-18(5-7-20)17-36-28(39)24(35-27(38)19-12-14-40-15-13-19)16-32-29(36)33-21-8-10-22(11-9-21)41-25-3-1-2-23(34-25)26(31)37/h1-11,16,19H,12-15,17H2,(H2,31,37)(H,32,33)(H,35,38)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244383
PNG
(US9550763, Compound I-135)
Show SMILES Cc1cc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)ccc1Oc1cccc(F)n1
Show InChI InChI=1S/C29H27ClFN5O4/c1-18-15-22(9-10-24(18)40-26-4-2-3-25(31)35-26)33-29-32-16-23(34-27(37)20-11-13-39-14-12-20)28(38)36(29)17-19-5-7-21(30)8-6-19/h2-10,15-16,20H,11-14,17H2,1H3,(H,32,33)(H,34,37)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244379
PNG
(US9550763, Compound I-131)
Show SMILES Clc1ccc(Cn2c(Nc3ccc(Oc4nccs4)cc3)ncc(NC(=O)C3CCOCC3)c2=O)cc1
Show InChI InChI=1S/C26H24ClN5O4S/c27-19-3-1-17(2-4-19)16-32-24(34)22(31-23(33)18-9-12-35-13-10-18)15-29-25(32)30-20-5-7-21(8-6-20)36-26-28-11-14-37-26/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,29,30)(H,31,33)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244380
PNG
(US9550763, Compound I-132)
Show SMILES Fc1cccnc1Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-5-3-18(4-6-20)17-35-27(37)24(34-25(36)19-11-14-38-15-12-19)16-32-28(35)33-21-7-9-22(10-8-21)39-26-23(30)2-1-13-31-26/h1-10,13,16,19H,11-12,14-15,17H2,(H,32,33)(H,34,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244307
PNG
(US9550763, Compound I-055)
Show SMILES CCOC(=O)c1cnc(Nc2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClN4O6/c1-2-36-25(35)20-14-28-26(31(23(20)32)15-16-6-8-17(27)9-7-16)29-18-10-12-19(13-11-18)37-22-5-3-4-21(30-22)24(33)34/h3-14H,2,15H2,1H3,(H,28,29)(H,33,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244334
PNG
(US9550763, Compound I-086)
Show SMILES Clc1ccc(Cn2c(Nc3ccc(Oc4ccon4)cc3)ncc(NC(=O)C3CCOCC3)c2=O)cc1
Show InChI InChI=1S/C26H24ClN5O5/c27-19-3-1-17(2-4-19)16-32-25(34)22(30-24(33)18-9-12-35-13-10-18)15-28-26(32)29-20-5-7-21(8-6-20)37-23-11-14-36-31-23/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,28,29)(H,30,33)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244384
PNG
(US9550763, Compound I-136)
Show SMILES Cc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1
Show InChI InChI=1S/C28H27ClN6O4/c1-18-14-30-16-25(32-18)39-23-8-6-22(7-9-23)33-28-31-15-24(34-26(36)20-10-12-38-13-11-20)27(37)35(28)17-19-2-4-21(29)5-3-19/h2-9,14-16,20H,10-13,17H2,1H3,(H,31,33)(H,34,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244263
PNG
(US9550763, Compound I-011)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H19ClFN5O3/c1-2-31-24(33)13-22(32(25(31)34)15-16-6-8-17(26)9-7-16)29-18-10-11-21(20(27)12-18)35-23-5-3-4-19(14-28)30-23/h3-13,29H,2,15H2,1H3
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244264
PNG
(US9550763, Compound I-012)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22ClN5O3/c1-3-31-25(33)14-23(32(26(31)34)16-18-7-9-19(27)10-8-18)29-20-11-12-22(17(2)13-20)35-24-6-4-5-21(15-28)30-24/h4-14,29H,3,16H2,1-2H3
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244701
PNG
(US9550763, Compound I-162)
Show SMILES Cc1cc(ccc1Oc1ncccc1F)\N=c1/[nH]cc(NC(=O)C2CCOCC2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClFN5O4/c1-18-15-22(8-9-25(18)40-27-23(31)3-2-12-32-27)34-29-33-16-24(35-26(37)20-10-13-39-14-11-20)28(38)36(29)17-19-4-6-21(30)7-5-19/h2-9,12,15-16,20H,10-11,13-14,17H2,1H3,(H,33,34)(H,35,37)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244278
PNG
(US9550763, Compound I-026)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(N)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O4/c1-2-31-23(33)13-21(32(25(31)35)14-15-6-8-16(26)9-7-15)29-17-10-11-20(18(27)12-17)36-22-5-3-4-19(30-22)24(28)34/h3-13,29H,2,14H2,1H3,(H2,28,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244339
PNG
(US9550763, Compound I-091)
Show SMILES CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClN5O5/c1-3-24(34)32-23-15-30-27(33(25(23)35)16-17-4-6-18(28)7-5-17)31-19-8-10-20(11-9-19)38-21-12-13-22(29-14-21)26(36)37-2/h4-15H,3,16H2,1-2H3,(H,30,31)(H,32,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244370
PNG
(US9550763, Compound I-122)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H23ClFN5O5/c1-17(27(37)39-2)15-35-26(36)13-24(34(28(35)38)16-18-6-8-19(29)9-7-18)32-20-10-11-23(22(30)12-20)40-25-5-3-4-21(14-31)33-25/h3-13,17,32H,15-16H2,1-2H3/t17-/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244374
PNG
(US9550763, Compound I-126)
Show SMILES C[C@@H](Cn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(N)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H23ClFN5O6/c1-15(26(37)38)13-34-24(35)12-22(33(27(34)39)14-16-5-7-17(28)8-6-16)31-18-9-10-21(19(29)11-18)40-23-4-2-3-20(32-23)25(30)36/h2-12,15,31H,13-14H2,1H3,(H2,30,36)(H,37,38)/t15-/m0/s1
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246766
PNG
(US9550763, Compound I-422)
Show SMILES OC(=O)c1cccc(Oc2ccc(cc2)\N=c2/[nH]cc(-c3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C29H21ClN4O4/c30-21-11-9-19(10-12-21)18-34-27(35)24(20-5-2-1-3-6-20)17-31-29(34)32-22-13-15-23(16-14-22)38-26-8-4-7-25(33-26)28(36)37/h1-17H,18H2,(H,31,32)(H,36,37)
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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 ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246778
PNG
(US9550763, Compound I-435)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2)\N=c2/[nH]cc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C28H24ClF3N6O4/c29-19-3-1-17(2-4-19)16-38-26(40)22(35-25(39)18-11-13-41-14-12-18)15-33-27(38)34-20-5-7-21(8-6-20)42-24-10-9-23(36-37-24)28(30,31)32/h1-10,15,18H,11-14,16H2,(H,33,34)(H,35,39)
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244292
PNG
(US9550763, Compound I-040)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClN4O5/c1-2-29-23(31)14-21(30(25(29)34)15-16-6-8-17(26)9-7-16)27-18-10-12-19(13-11-18)35-22-5-3-4-20(28-22)24(32)33/h3-14,27H,2,15H2,1H3,(H,32,33)
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244352
PNG
(US9550763, Compound I-104)
Show SMILES CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22ClN5O5/c1-2-22(33)30-21-14-28-26(32(24(21)34)15-16-6-8-17(27)9-7-16)29-18-10-12-19(13-11-18)37-23-5-3-4-20(31-23)25(35)36/h3-14H,2,15H2,1H3,(H,28,29)(H,30,33)(H,35,36)
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244375
PNG
(US9550763, Compound I-127)
Show SMILES C[C@@H](Cn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H21ClFN5O5/c1-16(26(36)37)14-34-25(35)12-23(33(27(34)38)15-17-5-7-18(28)8-6-17)31-19-9-10-22(21(29)11-19)39-24-4-2-3-20(13-30)32-24/h2-12,16,31H,14-15H2,1H3,(H,36,37)/t16-/m0/s1
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244707
PNG
(US9550763, Compound I-165)
Show SMILES CCCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN4O5/c1-2-14-30-24(32)15-22(31(26(30)35)16-17-6-8-18(27)9-7-17)28-19-10-12-20(13-11-19)36-23-5-3-4-21(29-23)25(33)34/h3-13,15,28H,2,14,16H2,1H3,(H,33,34)
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244293
PNG
(US9550763, Compound I-041)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3nc(C)c(s3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H21ClN4O5S/c1-3-28-20(30)12-19(29(24(28)33)13-15-4-6-16(25)7-5-15)27-17-8-10-18(11-9-17)34-23-26-14(2)21(35-23)22(31)32/h4-12,27H,3,13H2,1-2H3,(H,31,32)
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Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244275
PNG
(US9550763, Compound I-023)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22ClN3O5/c1-2-29-24(31)15-23(30(26(29)34)16-17-6-8-19(27)9-7-17)28-20-10-12-21(13-11-20)35-22-5-3-4-18(14-22)25(32)33/h3-15,28H,2,16H2,1H3,(H,32,33)
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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 ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244279
PNG
(US9550763, Compound I-027)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(N)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H24ClN5O4/c1-3-31-24(33)14-22(32(26(31)35)15-17-7-9-18(27)10-8-17)29-19-11-12-21(16(2)13-19)36-23-6-4-5-20(30-23)25(28)34/h4-14,29H,3,15H2,1-2H3,(H2,28,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM245180
PNG
(US9550763, Compound I-215)
Show SMILES O[C@H]1C[C@@H](C1)C(=O)Nc1c[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H23ClFN5O4/c28-18-3-1-16(2-4-18)15-34-26(37)23(33-25(36)17-11-21(35)12-17)14-31-27(34)32-20-6-8-22(9-7-20)38-24-10-5-19(29)13-30-24/h1-10,13-14,17,21,35H,11-12,15H2,(H,31,32)(H,33,36)/t17-,21-
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246642
PNG
(US9550763, Compound I-290)
Show SMILES Cc1cnc(o1)-c1c[nH]\c(=N/c2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H20ClN5O5/c1-16-13-29-24(37-16)21-14-30-27(33(25(21)34)15-17-5-7-18(28)8-6-17)31-19-9-11-20(12-10-19)38-23-4-2-3-22(32-23)26(35)36/h2-14H,15H2,1H3,(H,30,31)(H,35,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246726
PNG
(US9550763, Compound I-380)
Show SMILES CC(C)[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(Oc3cccc(F)n3)cc2)nc1=O)C(N)=O
Show InChI InChI=1S/C28H26ClFN6O4/c1-16(2)24(25(31)37)34-26(38)21-15-36(14-17-6-8-18(29)9-7-17)28(35-27(21)39)32-19-10-12-20(13-11-19)40-23-5-3-4-22(30)33-23/h3-13,15-16,24H,14H2,1-2H3,(H2,31,37)(H,34,38)(H,32,35,39)/t24-/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246727
PNG
(US9550763, Compound I-381)
Show SMILES C[C@H](NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(Oc3cccc(F)n3)cc2)nc1=O)C(N)=O
Show InChI InChI=1S/C26H22ClFN6O4/c1-15(23(29)35)30-24(36)20-14-34(13-16-5-7-17(27)8-6-16)26(33-25(20)37)31-18-9-11-19(12-10-18)38-22-4-2-3-21(28)32-22/h2-12,14-15H,13H2,1H3,(H2,29,35)(H,30,36)(H,31,33,37)/t15-/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244291
PNG
(US9550763, Compound I-039)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ncc(s3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H20ClN5O4S/c1-2-28-20(30)11-19(29(23(28)32)13-14-3-5-15(24)6-4-14)27-16-7-9-17(10-8-16)33-22-26-12-18(34-22)21(25)31/h3-12,27H,2,13H2,1H3,(H2,25,31)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244732
PNG
(US9550763, Compound I-187)
Show SMILES CCCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(C)n2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN6O3/c1-3-13-32-25(34)14-23(33(26(32)35)16-18-7-9-19(27)10-8-18)31-22-12-11-21(17(2)29-22)36-24-6-4-5-20(15-28)30-24/h4-12,14H,3,13,16H2,1-2H3,(H,29,31)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246721
PNG
(US9550763, Compound I-375)
Show SMILES NC(=O)[C@H](CO)NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(Oc3cccc(F)n3)cc2)nc1=O
Show InChI InChI=1S/C26H22ClFN6O5/c27-16-6-4-15(5-7-16)12-34-13-19(24(37)31-20(14-35)23(29)36)25(38)33-26(34)30-17-8-10-18(11-9-17)39-22-3-1-2-21(28)32-22/h1-11,13,20,35H,12,14H2,(H2,29,36)(H,31,37)(H,30,33,38)/t20-/m0/s1
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246711
PNG
(US9550763, Compound I-364)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2ccc(Oc3ccc(F)cn3)c(C)n2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H27ClFN5O5/c1-17-21(40-24-12-9-20(30)14-31-24)10-11-22(32-17)33-23-13-25(36)35(16-28(2,3)26(37)39-4)27(38)34(23)15-18-5-7-19(29)8-6-18/h5-14H,15-16H2,1-4H3,(H,32,33)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244262
PNG
(US9550763, Compound I-010)
Show SMILES CCOC(=O)c1cnc(Oc2ccc(Nc3cc(=O)n(CC)c(=O)n3Cc3ccc(Cl)cc3)cc2)s1
Show InChI InChI=1S/C25H23ClN4O5S/c1-3-29-22(31)13-21(30(25(29)33)15-16-5-7-17(26)8-6-16)28-18-9-11-19(12-10-18)35-24-27-14-20(36-24)23(32)34-4-2/h5-14,28H,3-4,15H2,1-2H3
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244386
PNG
(US9550763, Compound I-138)
Show SMILES CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3cnc(cn3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClN7O3/c1-2-22(34)32-21-13-30-25(33(24(21)35)15-16-3-5-17(26)6-4-16)31-18-7-9-20(10-8-18)36-23-14-28-19(11-27)12-29-23/h3-10,12-14H,2,15H2,1H3,(H,30,31)(H,32,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244715
PNG
(US9550763, Compound I-173)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O5/c1-3-30-23(32)14-21(31(25(30)34)15-16-4-6-17(26)7-5-16)27-18-8-10-19(11-9-18)36-22-13-12-20(28-29-22)24(33)35-2/h4-14,27H,3,15H2,1-2H3
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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 ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246691
PNG
(US9550763, Compound I-344)
Show SMILES Clc1ccc(Cn2c(=O)c(c[nH]\c2=N/c2ccc(Oc3ccon3)cc2)C(=O)NCC#C)cc1
Show InChI InChI=1S/C24H18ClN5O4/c1-2-12-26-22(31)20-14-27-24(30(23(20)32)15-16-3-5-17(25)6-4-16)28-18-7-9-19(10-8-18)34-21-11-13-33-29-21/h1,3-11,13-14H,12,15H2,(H,26,31)(H,27,28)
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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 ...


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More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246669
PNG
(US9550763, Compound I-322)
Show SMILES COCCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)c(C)n2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN6O4/c1-17-21(37-24-5-3-4-20(15-28)30-24)10-11-22(29-17)31-23-14-25(34)32(12-13-36-2)26(35)33(23)16-18-6-8-19(27)9-7-18/h3-11,14H,12-13,16H2,1-2H3,(H,29,31)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM244261
PNG
(US9550763, Compound I-009)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClN5O3/c1-2-30-24(32)14-22(31(25(30)33)16-17-6-8-18(26)9-7-17)28-19-10-12-21(13-11-19)34-23-5-3-4-20(15-27)29-23/h3-14,28H,2,16H2,1H3
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246660
PNG
(US9550763, Compound I-313)
Show SMILES Cc1noc(n1)-c1c[nH]\c(=N/c2ccc(Oc3cccc(n3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H19ClN6O5/c1-15-29-23(38-32-15)20-13-28-26(33(24(20)34)14-16-5-7-17(27)8-6-16)30-18-9-11-19(12-10-18)37-22-4-2-3-21(31-22)25(35)36/h2-13H,14H2,1H3,(H,28,30)(H,35,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246803
PNG
(US9550763, Compound I-474)
Show SMILES CCCn1c(=O)cc(Nc2ccc(Oc3cccc(c3)C(O)=O)c(C)n2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H28N4O5/c1-4-14-31-26(33)16-25(32(28(31)36)17-20-10-8-18(2)9-11-20)30-24-13-12-23(19(3)29-24)37-22-7-5-6-21(15-22)27(34)35/h5-13,15-16H,4,14,17H2,1-3H3,(H,29,30)(H,34,35)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM245200
PNG
(US9550763, Compound I-239)
Show SMILES NC(=O)c1ccc(Oc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3CCOCC3)cc2)nc1
Show InChI InChI=1S/C29H27ClN6O5/c30-20-4-1-18(2-5-20)16-36-17-24(27(38)33-22-11-13-40-14-12-22)28(39)35-29(36)34-21-6-8-23(9-7-21)41-25-10-3-19(15-32-25)26(31)37/h1-10,15,17,22H,11-14,16H2,(H2,31,37)(H,33,38)(H,34,35,39)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246652
PNG
(US9550763, Compound I-305)
Show SMILES CCC(=O)Nc1c[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN6O5/c1-3-22(34)30-21-14-28-26(33(24(21)35)15-16-4-6-17(27)7-5-16)29-18-8-10-19(11-9-18)38-23-13-12-20(31-32-23)25(36)37-2/h4-14H,3,15H2,1-2H3,(H,28,29)(H,30,34)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246655
PNG
(US9550763, Compound I-308)
Show SMILES Cc1ccc(Oc2ccc(cc2)\N=c2/[nH]cc(NC(=O)[C@H]3C[C@H](O)C3)c(=O)n2Cc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C27H25ClN6O4/c1-16-2-11-24(33-32-16)38-22-9-7-20(8-10-22)30-27-29-14-23(31-25(36)18-12-21(35)13-18)26(37)34(27)15-17-3-5-19(28)6-4-17/h2-11,14,18,21,35H,12-13,15H2,1H3,(H,29,30)(H,31,36)/t18-,21-
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM246806
PNG
(US9550763, Compound I-478)
Show SMILES OC(=O)c1cccc(Oc2ccc(cc2)\N=c2/[nH]cc(C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C28H25ClN4O5/c29-20-6-4-18(5-7-20)17-33-26(34)23(19-12-14-37-15-13-19)16-30-28(33)31-21-8-10-22(11-9-21)38-25-3-1-2-24(32-25)27(35)36/h1-11,16,19H,12-15,17H2,(H,30,31)(H,35,36)
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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 ...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%