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Compile Data Set for Download or QSAR

Found 228 hits Enz. Inhib. hit(s) with Target = 'P2X2/P2X3 receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
P2X2/P2X3 receptor


(RAT)
BDBM85730
PNG
(CAS_5311313 | NF023 | NSC_5311313)
Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6
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1.00E+3n/an/an/an/an/an/an/an/a



Biocentre Niederursel

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM85682
PNG
(CAS_5311315 | NF279 | NSC_5311315)
Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6
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1.00E+3n/an/an/an/an/an/an/an/a



Biocentre Niederursel

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50000029
PNG
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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>1.00E+4n/an/an/an/an/an/an/an/a



Biocentre Niederursel

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50257829
PNG
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413347
PNG
(CHEMBL494353)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O4/c1-10(2)12-4-15(26-3)13(19)5-14(12)27-16-7-22-18(23-17(16)20)21-6-11(8-24)9-25/h4-5,7,10-11,24-25H,6,8-9H2,1-3H3,(H3,20,21,22,23)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413370
PNG
(CHEMBL495204)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C
Show InChI InChI=1S/C16H18N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h1,6-9H,2-4H3,(H4,17,18,19,20)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413346
PNG
(CHEMBL494160)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(O)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-7-21-17(22-16(15)19)20-6-10(24)8-23/h4-5,7,9-10,23-24H,6,8H2,1-3H3,(H3,19,20,21,22)
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n/an/a 7.90n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413349
PNG
(CHEMBL494582)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C19H27IN4O4/c1-11(2)12-5-15(27-4)13(20)6-14(12)28-16-7-22-18(24-17(16)21)23-8-19(3,9-25)10-26/h5-7,11,25-26H,8-10H2,1-4H3,(H3,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413364
PNG
(CHEMBL492300)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
Show InChI InChI=1S/C16H21IN4O3/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-20-16(19-4-5-22)21-15(14)18/h6-9,22H,4-5H2,1-3H3,(H3,18,19,20,21)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413356
PNG
(CHEMBL492933)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCNC(C)=O)nc2N)cc1I
Show InChI InChI=1S/C18H24IN5O3/c1-10(2)12-7-15(26-4)13(19)8-14(12)27-16-9-23-18(24-17(16)20)22-6-5-21-11(3)25/h7-10H,5-6H2,1-4H3,(H,21,25)(H3,20,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413345
PNG
(CHEMBL494159)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-8-21-17(22-16(15)19)20-7-10(3)23/h5-6,8-10,23H,7H2,1-4H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413366
PNG
(CHEMBL492907)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCCO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-10(2)11-7-14(24-3)12(18)8-13(11)25-15-9-21-17(22-16(15)19)20-5-4-6-23/h7-10,23H,4-6H2,1-3H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413357
PNG
(CHEMBL492934)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCS(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4S/c1-10(2)11-7-14(25-3)12(18)8-13(11)26-15-9-21-17(22-16(15)19)20-5-6-27(4,23)24/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413395
PNG
(CHEMBL495203)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br
Show InChI InChI=1S/C14H17BrN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413382
PNG
(CHEMBL494833)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C15H20N4O3/c1-8(2)9-5-11(20-3)12(21-4)6-10(9)22-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50102299
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...)
Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(CP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H14N3O11PS2/c1-7-13(19)9(5-18)10(6-29(20,21)22)14(15-7)17-16-11-4-8(30(23,24)25)2-3-12(11)31(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 25n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413394
PNG
(CHEMBL448525)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl
Show InChI InChI=1S/C14H17ClN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415550
PNG
(CHEMBL599760 | Ro-85)
Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1
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n/an/a 31.6n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50102300
PNG
(CHEMBL331250 | [4-(4-Formyl-5-hydroxy-6-methyl-3-p...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)P(O)(O)=O)c(CP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H15N3O8P2/c1-8-13(19)11(6-18)12(7-26(20,21)22)14(15-8)17-16-9-2-4-10(5-3-9)27(23,24)25/h2-6,19H,7H2,1H3,(H2,20,21,22)(H2,23,24,25)
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n/an/a 36n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415553
PNG
(CHEMBL605130)
Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F
Show InChI InChI=1S/C22H26FN5O2S/c1-14(13-27-8-10-28(11-9-27)15(2)29)24-21(30)19-12-17-20(25-26(3)22(17)31-19)16-6-4-5-7-18(16)23/h4-7,12,14H,8-11,13H2,1-3H3,(H,24,30)
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n/an/a 39.8n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415601
PNG
(CHEMBL598103)
Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H29N5O2S/c1-15-5-7-18(8-6-15)21-19-13-20(31-23(19)26(4)25-21)22(30)24-16(2)14-27-9-11-28(12-10-27)17(3)29/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,30)
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n/an/a 39.8n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413377
PNG
(CHEMBL494176)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1I)C(C)C
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-9(15)11(20-3)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413400
PNG
(CHEMBL521983)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1nnn[nH]1
Show InChI InChI=1S/C15H18N8O2/c1-7(2)8-4-10(24-3)9(14-20-22-23-21-14)5-11(8)25-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)(H,20,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413373
PNG
(CHEMBL502618)
Show SMILES CCc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C16H22N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413352
PNG
(CHEMBL443930)
Show SMILES CNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
Show InChI InChI=1S/C15H19IN4O2/c1-8(2)9-5-12(21-4)10(16)6-11(9)22-13-7-19-15(18-3)20-14(13)17/h5-8H,1-4H3,(H3,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415574
PNG
(CHEMBL597486)
Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1
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n/an/a 50.1n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413365
PNG
(CHEMBL492703)
Show SMILES COCCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
Show InChI InChI=1S/C17H23IN4O3/c1-10(2)11-7-14(24-4)12(18)8-13(11)25-15-9-21-17(22-16(15)19)20-5-6-23-3/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
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n/an/a 63n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413360
PNG
(CHEMBL492745)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCNCC3)nc2N)cc1I
Show InChI InChI=1S/C20H29IN6O2/c1-13(2)14-10-17(28-3)15(21)11-16(14)29-18-12-25-20(26-19(18)22)24-6-9-27-7-4-23-5-8-27/h10-13,23H,4-9H2,1-3H3,(H3,22,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415599
PNG
(CHEMBL604740)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F
Show InChI InChI=1S/C24H26FN7OS/c1-16(15-31-10-12-32(13-11-31)24-26-8-5-9-27-24)28-22(33)20-14-18-21(29-30(2)23(18)34-20)17-6-3-4-7-19(17)25/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,33)
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n/an/a 63.1n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50064800
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 74n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(Rattus norvegicus)
BDBM50336781
PNG
(CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...)
Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2
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n/an/a 79n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413378
PNG
(CHEMBL523043)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1Br)C(C)C
Show InChI InChI=1S/C14H17BrN4O2/c1-7(2)8-4-9(15)11(20-3)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 79n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413353
PNG
(CHEMBL493741)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(F)(F)F)nc2N)cc1I
Show InChI InChI=1S/C16H18F3IN4O2/c1-8(2)9-4-12(25-3)10(20)5-11(9)26-13-6-22-15(24-14(13)21)23-7-16(17,18)19/h4-6,8H,7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 79n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(Rattus norvegicus)
BDBM50336796
PNG
(CHEMBL1672105 | Sodium 1-Amino-4-[3-(4,6-dichloro[...)
Show SMILES Nc1c(cc(Nc2cccc(Nc3nc(Cl)nc(Cl)n3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1
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n/an/a 86n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413348
PNG
(CHEMBL494581)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)(C)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O3/c1-10(2)11-6-14(25-5)12(19)7-13(11)26-15-8-21-17(22-16(15)20)23-18(3,4)9-24/h6-8,10,24H,9H2,1-5H3,(H3,20,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413363
PNG
(CHEMBL492299)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(Rattus norvegicus)
BDBM50227020
PNG
(CHEMBL271672 | sodium 1-amino-4-(3-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 100n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413374
PNG
(CHEMBL446310)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415564
PNG
(CHEMBL598728)
Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)C(C)=S)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN4O2S/c1-4-5-19-20(29-22(25-19)17-6-8-18(23)9-7-17)21(28)24-15(2)14-26-10-12-27(13-11-26)16(3)30/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,28)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415550
PNG
(CHEMBL599760 | Ro-85)
Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413403
PNG
(CHEMBL521820)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)=O
Show InChI InChI=1S/C15H19N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7H,1-3H3,(H2,17,21)(H4,16,18,19,20)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413397
PNG
(CHEMBL492967)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
Show InChI InChI=1S/C15H20N4O4S/c1-8(2)9-5-11(22-3)13(24(4,20)21)6-10(9)23-12-7-18-15(17)19-14(12)16/h5-8H,1-4H3,(H4,16,17,18,19)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(Rattus norvegicus)
BDBM50268875
PNG
(CHEMBL496401 | Sodium 1-amino-4-[4-(4,6-dichloro-[...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-7-5-10(6-8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-3-1-2-4-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1
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n/an/a 117n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


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More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50415575
PNG
(CHEMBL597485)
Show SMILES CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN5O/c1-18(17-29-12-14-30(15-13-29)24-26-10-3-11-27-24)28-23(31)21-5-2-4-20(16-21)19-6-8-22(25)9-7-19/h2-11,16,18H,12-15,17H2,1H3,(H,28,31)
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n/an/a 126n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
P2X2/P2X3 receptor


(RAT)
BDBM50413391
PNG
(CHEMBL494772)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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n/an/a 126n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
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