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Patent code US9688643

Compile Data Set for Download or QSAR

Found 325 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))
BDBM183283
PNG
(US9150546, I-452 | US9688643, I-452 | US9718790, I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/t15-/m1/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))
BDBM183288
PNG
(US9150546, I-457 | US9688643, I-457 | US9718790, I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/t15-/m1/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))
BDBM183258
PNG
(US9150546, I-431 | US9688643, I-431 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-16(2)36-21-12-11-20(13-17(21)3)28-23-29-24(33)31(15-26(4,5)22(32)35-6)25(34)30(23)14-18-7-9-19(27)10-8-18/h7-13,16H,14-15H2,1-6H3,(H,28,29,33)
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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))
BDBM183289
PNG
(US9150546, I-458 | US9688643, I-458 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/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))
BDBM183347
PNG
(US9150546, I-521 | US9688643, I-521 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H34N4O5/c1-6-35-24(32)8-7-15-30-26(33)29-25(28-22-13-14-23(20(5)16-22)36-18(2)3)31(27(30)34)17-21-11-9-19(4)10-12-21/h9-14,16,18H,6-8,15,17H2,1-5H3,(H,28,29,33)
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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))
BDBM183293
PNG
(US9150546, I-462 | US9688643, I-462 | US9718790, I...)
Show SMILES CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-6-35-20-12-11-19(13-16(20)2)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-7-9-18(26)10-8-17/h7-13H,6,14-15H2,1-5H3,(H,27,28,32)
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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))
BDBM169213
PNG
(US9688643, I-423)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-4-34-21(31)11-12-29-23(32)28-22(27-18-9-10-20(19(26)13-18)35-15(2)3)30(24(29)33)14-16-5-7-17(25)8-6-16/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,28,32)
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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))
BDBM183284
PNG
(US9150546, I-453 | US9688643, I-453 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/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))
BDBM183342
PNG
(US9150546, I-516 | US9688643, I-516 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-5-35-23(32)7-6-14-30-25(33)29-24(28-20-12-13-22(21(27)15-20)36-17(2)3)31(26(30)34)16-19-10-8-18(4)9-11-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)
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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))
BDBM183179
PNG
(US9150546, I-342 | US9688643, I-342 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C27H32ClFN4O5/c1-18(2)38-23-12-11-21(16-22(23)29)30-25-31-26(34)32(13-5-15-37-24-6-3-4-14-36-24)27(35)33(25)17-19-7-9-20(28)10-8-19/h7-12,16,18,24H,3-6,13-15,17H2,1-2H3,(H,30,31,34)
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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))
BDBM183382
PNG
(US9150546, I-556 | US9688643, I-556 | US9718790, I...)
Show SMILES COC(=O)C[C@@H](C)n1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-20-10-9-18(12-19(20)26)27-22-28-23(32)30(15(3)11-21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,27,28,32)/t15-/m1/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))
BDBM183384
PNG
(US9150546, I-558 | US9688643, I-558 | US9718790, I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H23ClN4O5/c1-14(21(30)33-3)12-29-23(31)27-22(26-19-8-9-20-17(11-19)10-15(2)34-20)28(24(29)32)13-16-4-6-18(25)7-5-16/h4-11,14H,12-13H2,1-3H3,(H,26,27,31)/t14-/m1/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))
BDBM183270
PNG
(US9150546, I-438 | US9688643, I-438 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(=O)NCC(N)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O5/c1-13(2)36-18-8-7-16(9-17(18)25)28-21-29-22(34)31(12-20(33)27-10-19(26)32)23(35)30(21)11-14-3-5-15(24)6-4-14/h3-9,13H,10-12H2,1-2H3,(H2,26,32)(H,27,33)(H,28,29,34)
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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))
BDBM183251
PNG
(US9150546, I-422 | US9688643, I-422 | US9718790, I...)
Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)
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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))
BDBM183341
PNG
(US9150546, I-515 | US9688643, I-515 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C25H29FN4O5/c1-15(2)35-21-11-10-19(12-20(21)26)27-23-28-24(32)30(13-17(4)22(31)34-5)25(33)29(23)14-18-8-6-16(3)7-9-18/h6-12,15,17H,13-14H2,1-5H3,(H,27,28,32)/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))
BDBM183267
PNG
(US9150546, I-435 | US9688643, I-435 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(=O)NCC#N)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N6O4/c1-14(2)35-19-8-7-17(11-18(19)25)28-21-29-22(33)31(13-20(32)27-10-9-26)23(34)30(21)12-15-3-5-16(24)6-4-15/h3-8,11,14H,10,12-13H2,1-2H3,(H,27,32)(H,28,29,33)
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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))
BDBM183269
PNG
(US9150546, I-437 | US9688643, I-437 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(=O)NCCO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2N5O5/c1-14(2)35-19-8-7-17(11-18(19)25)27-21-28-22(33)30(13-20(32)26-9-10-31)23(34)29(21)12-15-3-5-16(24)6-4-15/h3-8,11,14,31H,9-10,12-13H2,1-2H3,(H,26,32)(H,27,28,33)
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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))
BDBM183371
PNG
(US9150546, I-545 | US9688643, I-545 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H30ClFN4O5/c1-17(2)37-22-11-10-20(15-21(22)28)29-24-30-25(33)31(12-14-36-23-5-3-4-13-35-23)26(34)32(24)16-18-6-8-19(27)9-7-18/h6-11,15,17,23H,3-5,12-14,16H2,1-2H3,(H,29,30,33)
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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))
BDBM183386
PNG
(US9150546, I-560 | US9688643, I-560 | US9718790, I...)
Show SMILES COC(=O)C[C@@H](C)n1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-20-10-9-18(12-19(20)26)27-22-28-23(32)30(15(3)11-21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-10,12,14-15H,11,13H2,1-4H3,(H,27,28,32)/t15-/m1/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))
BDBM183231
PNG
(US9150546, I-401 | US9688643, I-401 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,31,32)(H,27,28,33)
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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))
BDBM183205
PNG
(US9150546, I-369 | US9688643, I-369 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H26Cl2N4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32)
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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))
BDBM183344
PNG
(US9150546, I-518 | US9688643, I-518 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C24H27ClN4O5/c1-14(2)34-20-10-9-18(11-19(20)25)26-22-27-23(32)29(12-16(4)21(30)31)24(33)28(22)13-17-7-5-15(3)6-8-17/h5-11,14,16H,12-13H2,1-4H3,(H,30,31)(H,26,27,32)/t16-/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))
BDBM183365
PNG
(US9150546, I-539 | US9688643, I-539 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H22Cl2N4O5/c1-3-33-18-9-8-16(10-17(18)24)25-20-26-21(31)28(11-13(2)19(29)30)22(32)27(20)12-14-4-6-15(23)7-5-14/h4-10,13H,3,11-12H2,1-2H3,(H,29,30)(H,25,26,31)/t13-/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))
BDBM183243
PNG
(US9150546, I-414 | US9688643, I-414 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30FN5O6/c1-15(2)37-21-9-8-18(10-20(21)26)28-23-29-24(35)31(12-22(34)27-19(13-32)14-33)25(36)30(23)11-17-6-4-16(3)5-7-17/h4-10,15,19,32-33H,11-14H2,1-3H3,(H,27,34)(H,28,29,35)
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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))
BDBM183174
PNG
(US9150546, I-335 | US9688643, I-335 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC3(CO)CC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O4/c1-15(2)34-20-8-7-18(11-19(20)26)27-21-28-22(32)30(13-24(14-31)9-10-24)23(33)29(21)12-16-3-5-17(25)6-4-16/h3-8,11,15,31H,9-10,12-14H2,1-2H3,(H,27,28,32)
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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))
BDBM183228
PNG
(US9150546, I-398 | US9688643, I-398 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClFN5O6/c1-14(2)37-20-8-7-17(9-19(20)26)28-22-29-23(35)31(11-21(34)27-18(12-32)13-33)24(36)30(22)10-15-3-5-16(25)6-4-15/h3-9,14,18,32-33H,10-13H2,1-2H3,(H,27,34)(H,28,29,35)
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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))
BDBM183310
PNG
(US9150546, I-479 | US9688643, I-479 | US9718790, I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H27ClN4O5/c1-15(2)34-20-11-9-19(10-12-20)26-22-27-23(31)29(13-16(3)21(30)33-4)24(32)28(22)14-17-5-7-18(25)8-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,27,31)/t16-/m1/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))
BDBM183198
PNG
(US9150546, I-362 | US9688643, I-362 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30)
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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))
BDBM183287
PNG
(US9150546, I-456 | US9688643, I-456 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClFN4O5/c1-13(2)34-19-9-8-17(10-18(19)25)26-21-27-22(32)29(11-14(3)20(30)31)23(33)28(21)12-15-4-6-16(24)7-5-15/h4-10,13-14H,11-12H2,1-3H3,(H,30,31)(H,26,27,32)/t14-/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))
BDBM183387
PNG
(US9150546, I-561 | US9688643, I-561 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n([C@H](C)CC(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N4O5/c1-13(2)34-19-9-8-17(11-18(19)25)26-21-27-22(32)29(14(3)10-20(30)31)23(33)28(21)12-15-4-6-16(24)7-5-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,30,31)(H,26,27,32)/t14-/m1/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))
BDBM183190
PNG
(US9150546, I-354 | US9688643, I-354 | US9718790, I...)
Show SMILES CCOC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-4-34-21(31)11-12-29-23(32)28-22(27-18-9-10-20(19(26)13-18)35-15(2)3)30(24(29)33)14-16-5-7-17(25)8-6-16/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,28,32)
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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))
BDBM183229
PNG
(US9150546, I-399 | US9688643, I-399 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H28Cl2N4O5/c1-15(2)36-20-11-10-18(12-19(20)27)28-22-29-23(33)31(14-25(3,4)21(32)35-5)24(34)30(22)13-16-6-8-17(26)9-7-16/h6-12,15H,13-14H2,1-5H3,(H,28,29,33)
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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))
BDBM183171
PNG
(US9150546, I-332 | US9688643, I-332 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H28ClFN4O4/c1-15(2)34-20-10-9-18(11-19(20)26)27-21-28-22(32)30(13-24(3,4)14-31)23(33)29(21)12-16-5-7-17(25)8-6-16/h5-11,15,31H,12-14H2,1-4H3,(H,27,28,32)
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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))
BDBM183277
PNG
(US9150546, I-445 | US9688643, I-445 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(Cc2ccc(cc2)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClFN4O5/c1-16(2)38-23-12-11-21(13-22(23)29)30-25-31-26(36)33(15-17-3-7-19(8-4-17)24(34)35)27(37)32(25)14-18-5-9-20(28)10-6-18/h3-13,16H,14-15H2,1-2H3,(H,34,35)(H,30,31,36)
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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))
BDBM183268
PNG
(US9150546, I-436 | US9688643, I-436 | US9718790, I...)
Show SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H23Cl2N5O4/c1-13(2)33-18-9-8-16(10-17(18)24)26-20-27-21(31)29(12-19(30)25-3)22(32)28(20)11-14-4-6-15(23)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,25,30)(H,26,27,31)
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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))
BDBM183138
PNG
(US9150546, I-291 | US9688643, I-291 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H21ClFN5O3/c1-14(2)32-19-9-8-17(12-18(19)24)26-20-27-21(30)28(11-3-10-25)22(31)29(20)13-15-4-6-16(23)7-5-15/h4-9,12,14H,3,11,13H2,1-2H3,(H,26,27,30)
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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))
BDBM183292
PNG
(US9150546, I-461 | US9688643, I-461 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N4O5/c1-13(2)34-19-9-8-17(10-18(19)25)26-21-27-22(32)29(11-14(3)20(30)31)23(33)28(21)12-15-4-6-16(24)7-5-15/h4-10,13-14H,11-12H2,1-3H3,(H,30,31)(H,26,27,32)/t14-/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))
BDBM183122
PNG
(US9150546, I-274 | US9688643, I-274 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H28ClFN4O5/c1-15(2)35-20-9-8-18(10-19(20)26)27-21-28-22(33)30(12-24(3,13-31)14-32)23(34)29(21)11-16-4-6-17(25)7-5-16/h4-10,15,31-32H,11-14H2,1-3H3,(H,27,28,33)
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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))
BDBM183328
PNG
(US9150546, I-498 | US9688643, I-498 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H28Cl2N4O5/c1-4-35-22(32)6-5-13-30-24(33)29-23(28-19-11-12-21(20(27)14-19)36-16(2)3)31(25(30)34)15-17-7-9-18(26)10-8-17/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,28,29,33)
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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))
BDBM183359
PNG
(US9150546, I-533 | US9688643, I-533 | US9718790, I...)
Show SMILES CCOc1ccc(Nc2nc(=O)n(C[C@H](C)C(=O)OC)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H24Cl2N4O5/c1-4-34-19-10-9-17(11-18(19)25)26-21-27-22(31)29(12-14(2)20(30)33-3)23(32)28(21)13-15-5-7-16(24)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,26,27,31)/t14-/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))
BDBM183186
PNG
(US9150546, I-350 | US9688643, I-350 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C26H30Cl2N4O5/c1-17(2)37-22-11-10-20(15-21(22)28)29-24-30-25(33)31(12-14-36-23-5-3-4-13-35-23)26(34)32(24)16-18-6-8-19(27)9-7-18/h6-11,15,17,23H,3-5,12-14,16H2,1-2H3,(H,29,30,33)
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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))
BDBM183357
PNG
(US9150546, I-531 | US9688643, I-531 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H29ClN4O5/c1-15(2)35-21-11-10-20(12-16(21)3)27-23-28-24(32)30(13-17(4)22(31)34-5)25(33)29(23)14-18-6-8-19(26)9-7-18/h6-12,15,17H,13-14H2,1-5H3,(H,27,28,32)/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))
BDBM183238
PNG
(US9150546, I-408 | US9688643, I-408 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-15(2)35-20-11-10-18(12-19(20)26)27-22-28-23(33)30(14-25(4,5)21(31)32)24(34)29(22)13-17-8-6-16(3)7-9-17/h6-12,15H,13-14H2,1-5H3,(H,31,32)(H,27,28,33)
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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))
BDBM183319
PNG
(US9150546, I-489 | US9688643, I-489 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-15-11-17-12-19(9-10-20(17)35-15)27-22-28-23(32)30(14-25(2,3)21(31)34-4)24(33)29(22)13-16-5-7-18(26)8-6-16/h5-12H,13-14H2,1-4H3,(H,27,28,32)
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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))
BDBM183373
PNG
(US9150546, I-547 | US9688643, I-547 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H35ClN4O5/c1-16(2)35-20-12-11-18(13-19(20)26)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-9-7-6-8-10-17/h11-13,16-17H,6-10,14-15H2,1-5H3,(H,27,28,32)
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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))
BDBM183166
PNG
(US9150546, I-326 | US9688643, I-326 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)
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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))
BDBM183273
PNG
(US9150546, I-441 | US9688643, I-441 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N4O5/c1-5-35-19-11-10-17(12-18(19)26)27-21-28-22(32)30(14-24(2,3)20(31)34-4)23(33)29(21)13-15-6-8-16(25)9-7-15/h6-12H,5,13-14H2,1-4H3,(H,27,28,32)
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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))
BDBM183124
PNG
(US9150546, I-276 | US9688643, I-276 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H26ClFN4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32)
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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))
BDBM183234
PNG
(US9150546, I-404 | US9688643, I-404 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H31FN4O5/c1-16(2)36-21-12-11-19(13-20(21)27)28-23-29-24(33)31(15-26(4,5)22(32)35-6)25(34)30(23)14-18-9-7-17(3)8-10-18/h7-13,16H,14-15H2,1-6H3,(H,28,29,33)
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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))
BDBM183311
PNG
(US9150546, I-480 | US9688643, I-480 | US9718790, I...)
Show SMILES CCOc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@@H](C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O5/c1-4-33-19-11-9-18(10-12-19)25-21-26-22(30)28(13-15(2)20(29)32-3)23(31)27(21)14-16-5-7-17(24)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,25,26,30)/t15-/m1/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
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* indicates data uncertainty>20%