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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 2' AND taxid = 9606   
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
P2X purinoceptor 2


(Homo sapiens)
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 5n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 32n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 79n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413380
PNG
(CHEMBL444469)
Show SMILES COc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-5-4-9(19-3)6-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413358
PNG
(CHEMBL492935)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN(C)C)nc2N)cc1I
Show InChI InChI=1S/C18H26IN5O2/c1-11(2)12-8-15(25-5)13(19)9-14(12)26-16-10-22-18(23-17(16)20)21-6-7-24(3)4/h8-11H,6-7H2,1-5H3,(H3,20,21,22,23)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413398
PNG
(CHEMBL500550)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(O)=O
Show InChI InChI=1S/C15H18N4O4/c1-7(2)8-4-10(22-3)9(14(20)21)5-11(8)23-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H,20,21)(H4,16,17,18,19)
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n/an/a 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413362
PNG
(CHEMBL493547)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C19H25IN4O3/c1-11(2)13-8-16(25-3)14(20)9-15(13)27-17-10-22-19(24-18(17)21)23-12-4-6-26-7-5-12/h8-12H,4-7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413379
PNG
(CHEMBL504607 | TCMDC-132471)
Show SMILES COc1ccc(Oc2cnc(N)nc2N)c(c1)C(C)C
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413361
PNG
(CHEMBL493546)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O3/c1-13(2)14-10-17(27-3)15(21)11-16(14)29-18-12-24-20(25-19(18)22)23-4-5-26-6-8-28-9-7-26/h10-13H,4-9H2,1-3H3,(H3,22,23,24,25)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 400n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) receptor 10 uM


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 501n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413368
PNG
(CHEMBL523000)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)
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n/an/a 631n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413399
PNG
(CHEMBL492968)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1
Show InChI InChI=1S/C17H20N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h4-9H,1-3H3,(H,20,21)(H4,18,19,22,23)
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n/an/a 631n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 794n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 1.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413359
PNG
(CHEMBL492744)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O3/c1-13(2)15-10-18(29-3)16(22)11-17(15)30-19-12-25-21(26-20(19)23)24-6-9-27-7-4-14(28)5-8-27/h10-14,28H,4-9H2,1-3H3,(H3,23,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413355
PNG
(CHEMBL492729)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN)nc2N)cc1I
Show InChI InChI=1S/C16H22IN5O2/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-21-16(20-5-4-18)22-15(14)19/h6-9H,4-5,18H2,1-3H3,(H3,19,20,21,22)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413350
PNG
(CHEMBL492789)
Show SMILES COc1cc(C(C)C)c(Oc2cncnc2N)cc1I
Show InChI InChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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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n/an/a 1.59E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413369
PNG
(CHEMBL494940)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F
Show InChI InChI=1S/C14H17FN4O2/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 1.59E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
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 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413372
PNG
(CHEMBL494181)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C
Show InChI InChI=1S/C17H24N4O2/c1-9(2)11-7-14(12(10(3)4)6-13(11)22-5)23-15-8-20-17(19)21-16(15)18/h6-10H,1-5H3,(H4,18,19,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413383
PNG
(CHEMBL494832)
Show SMILES CCc1cc(OC)c(OC)cc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C14H18N4O3/c1-4-8-5-10(19-2)11(20-3)6-9(8)21-12-7-17-14(16)18-13(12)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413381
PNG
(CHEMBL494834)
Show SMILES CC(C)c1ccccc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413396
PNG
(CHEMBL492562)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N
Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-5-11(21-3)9(6-16)4-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens)
BDBM50413351
PNG
(CHEMBL493740)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1I
Show InChI InChI=1S/C15H18IN3O2/c1-8(2)10-5-13(20-4)11(16)6-12(10)21-14-7-18-9(3)19-15(14)17/h5-8H,1-4H3,(H2,17,18,19)
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antibodypedia
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UniChem

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PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Citation and Details
More data for this
Ligand-Target Pair
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