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PubMed code 26588064

Compile data set for download or QSAR
Found 34 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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50118225
PNG
(ARL 69931MX | Adenosine triphosphate derivative | ...)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500444
PNG
(CHEMBL3747704)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C25H37ClN10O16P4S4.4Na/c1-3-59-24-31-17(27)11-19(33-24)35(7-29-11)21-15(39)13(37)9(49-21)5-47-55(45,57)51-53(41,42)23(26)54(43,44)52-56(46,58)48-6-10-14(38)16(40)22(50-10)36-8-30-12-18(28)32-25(60-4-2)34-20(12)36;;;;/h7-10,13-16,21-23,37-40H,3-6H2,1-2H3,(H,41,42)(H,43,44)(H,45,57)(H,46,58)(H2,27,31,33)(H2,28,32,34);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,55?,56?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500439
PNG
(CHEMBL3746558)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C22H32N10O17P4S4.4Na/c1-56-21-27-15(23)9-17(29-21)31(5-25-9)19-13(35)11(33)7(45-19)3-43-52(41,54)48-50(37,38)47-51(39,40)49-53(42,55)44-4-8-12(34)14(36)20(46-8)32-6-26-10-16(24)28-22(57-2)30-18(10)32;;;;/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,54)(H,42,55)(H2,23,27,29)(H2,24,28,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,52?,53?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500449
PNG
(CHEMBL3746192)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(-[#16]-[#6]-[#6]C(F)(F)F)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(-[#16]-[#6]-[#6]C(F)(F)F)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C27H35ClF6N10O16P4S4.4Na/c28-23(61(49,50)59-63(53,65)55-5-9-13(45)15(47)21(57-9)43-7-37-11-17(35)39-24(41-19(11)43)67-3-1-26(29,30)31)62(51,52)60-64(54,66)56-6-10-14(46)16(48)22(58-10)44-8-38-12-18(36)40-25(42-20(12)44)68-4-2-27(32,33)34;;;;/h7-10,13-16,21-23,45-48H,1-6H2,(H,49,50)(H,51,52)(H,53,65)(H,54,66)(H2,35,39,41)(H2,36,40,42);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,63?,64?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500447
PNG
(CHEMBL3747385)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H33ClN10O16P4S4.4Na/c1-57-22-29-15(25)9-17(31-22)33(5-27-9)19-13(37)11(35)7(47-19)3-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-4-8-12(36)14(38)20(48-8)34-6-28-10-16(26)30-23(58-2)32-18(10)34;;;;/h5-8,11-14,19-21,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,21?,53?,54?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500451
PNG
(CHEMBL3746620)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H33ClN10O18P4S2.4Na/c1-57-22-29-15(25)9-17(31-22)33(5-27-9)19-13(37)11(35)7(49-19)3-47-55(43,44)51-53(39,40)21(24)54(41,42)52-56(45,46)48-4-8-12(36)14(38)20(50-8)34-6-28-10-16(26)30-23(58-2)32-18(10)34;;;;/h5-8,11-14,19-21,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500442
PNG
(CHEMBL3746598)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(Br)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(Br)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27Br2ClN10O16P4S2.4Na/c22-19-29-13(25)7-15(31-19)33(3-27-7)17-11(37)9(35)5(47-17)1-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-20(23)32-16(8)34;;;;/h3-6,9-12,17-18,21,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,21?,53?,54?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500443
PNG
(CHEMBL3746852)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#7]-c1nc(-[#16]-[#6])nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6])nc(-[#16]-[#6])nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C25H37ClN10O16P4S4.4Na/c1-27-17-11-19(33-24(31-17)59-3)35(7-29-11)21-15(39)13(37)9(49-21)5-47-55(45,57)51-53(41,42)23(26)54(43,44)52-56(46,58)48-6-10-14(38)16(40)22(50-10)36-8-30-12-18(28-2)32-25(60-4)34-20(12)36;;;;/h7-10,13-16,21-23,37-40H,5-6H2,1-4H3,(H,41,42)(H,43,44)(H,45,57)(H,46,58)(H,27,31,33)(H,28,32,34);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,55?,56?;;;;/m1..../s1
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n/an/a 360n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500443
PNG
(CHEMBL3746852)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#7]-c1nc(-[#16]-[#6])nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6])nc(-[#16]-[#6])nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C25H37ClN10O16P4S4.4Na/c1-27-17-11-19(33-24(31-17)59-3)35(7-29-11)21-15(39)13(37)9(49-21)5-47-55(45,57)51-53(41,42)23(26)54(43,44)52-56(46,58)48-6-10-14(38)16(40)22(50-10)36-8-30-12-18(28-2)32-25(60-4)34-20(12)36;;;;/h7-10,13-16,21-23,37-40H,5-6H2,1-4H3,(H,41,42)(H,43,44)(H,45,57)(H,46,58)(H,27,31,33)(H,28,32,34);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,55?,56?;;;;/m1..../s1
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n/an/a 730n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500445
PNG
(CHEMBL3746312)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)C(Cl)(Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H32Cl2N10O16P4S4.4Na/c1-58-21-30-15(26)9-17(32-21)34(5-28-9)19-13(38)11(36)7(48-19)3-46-54(44,56)50-52(40,41)23(24,25)53(42,43)51-55(45,57)47-4-8-12(37)14(39)20(49-8)35-6-29-10-16(27)31-22(59-2)33-18(10)35;;;;/h5-8,11-14,19-20,36-39H,3-4H2,1-2H3,(H,40,41)(H,42,43)(H,44,56)(H,45,57)(H2,26,30,32)(H2,27,31,33);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,54?,55?;;;;/m1..../s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500440
PNG
(CHEMBL3745863)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C27H41ClN10O16P4S4.4Na/c1-3-5-61-26-33-19(29)13-21(35-26)37(9-31-13)23-17(41)15(39)11(51-23)7-49-57(47,59)53-55(43,44)25(28)56(45,46)54-58(48,60)50-8-12-16(40)18(42)24(52-12)38-10-32-14-20(30)34-27(36-22(14)38)62-6-4-2;;;;/h9-12,15-18,23-25,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H2,29,33,35)(H2,30,34,36);;;;/q;4*+1/p-4/t11-,12-,15-,16-,17-,18-,23-,24-,25?,57?,58?;;;;/m1..../s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500445
PNG
(CHEMBL3746312)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)C(Cl)(Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H32Cl2N10O16P4S4.4Na/c1-58-21-30-15(26)9-17(32-21)34(5-28-9)19-13(38)11(36)7(48-19)3-46-54(44,56)50-52(40,41)23(24,25)53(42,43)51-55(45,57)47-4-8-12(37)14(39)20(49-8)35-6-29-10-16(27)31-22(59-2)33-18(10)35;;;;/h5-8,11-14,19-20,36-39H,3-4H2,1-2H3,(H,40,41)(H,42,43)(H,44,56)(H,45,57)(H2,26,30,32)(H2,27,31,33);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,54?,55?;;;;/m1..../s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500436
PNG
(CHEMBL3746901)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(I)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(I)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27ClI2N10O16P4S2.4Na/c22-19(51(39,40)49-53(43,55)45-1-5-9(35)11(37)17(47-5)33-3-27-7-13(25)29-20(23)31-15(7)33)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-21(24)32-16(8)34;;;;/h3-6,9-12,17-19,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,19?,53?,54?;;;;/m1..../s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500438
PNG
(CHEMBL3745979)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C22H32N10O19P4S2.4Na/c1-56-21-27-15(23)9-17(29-21)31(5-25-9)19-13(35)11(33)7(47-19)3-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-4-8-12(34)14(36)20(48-8)32-6-26-10-16(24)28-22(57-2)30-18(10)32;;;;/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,27,29)(H2,24,28,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500448
PNG
(CHEMBL3746177)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#7]-c1ncnc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6])ncnc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C23H33ClN10O16P4S2.4Na/c1-25-17-11-19(29-5-27-17)33(7-31-11)21-15(37)13(35)9(47-21)3-45-53(43,55)49-51(39,40)23(24)52(41,42)50-54(44,56)46-4-10-14(36)16(38)22(48-10)34-8-32-12-18(26-2)28-6-30-20(12)34;;;;/h5-10,13-16,21-23,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H,25,27,29)(H,26,28,30);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,53?,54?;;;;/m1..../s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500447
PNG
(CHEMBL3747385)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H33ClN10O16P4S4.4Na/c1-57-22-29-15(25)9-17(31-22)33(5-27-9)19-13(37)11(35)7(47-19)3-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-4-8-12(36)14(38)20(48-8)34-6-28-10-16(26)30-23(58-2)32-18(10)34;;;;/h5-8,11-14,19-21,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,21?,53?,54?;;;;/m1..../s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500442
PNG
(CHEMBL3746598)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(Br)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(Br)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27Br2ClN10O16P4S2.4Na/c22-19-29-13(25)7-15(31-19)33(3-27-7)17-11(37)9(35)5(47-17)1-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-20(23)32-16(8)34;;;;/h3-6,9-12,17-18,21,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,21?,53?,54?;;;;/m1..../s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500439
PNG
(CHEMBL3746558)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C22H32N10O17P4S4.4Na/c1-56-21-27-15(23)9-17(29-21)31(5-25-9)19-13(35)11(33)7(45-19)3-43-52(41,54)48-50(37,38)47-51(39,40)49-53(42,55)44-4-8-12(34)14(36)20(46-8)32-6-26-10-16(24)28-22(57-2)30-18(10)32;;;;/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,54)(H,42,55)(H2,23,27,29)(H2,24,28,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,52?,53?;;;;/m1..../s1
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GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500436
PNG
(CHEMBL3746901)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(I)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(I)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27ClI2N10O16P4S2.4Na/c22-19(51(39,40)49-53(43,55)45-1-5-9(35)11(37)17(47-5)33-3-27-7-13(25)29-20(23)31-15(7)33)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-21(24)32-16(8)34;;;;/h3-6,9-12,17-19,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,19?,53?,54?;;;;/m1..../s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500450
PNG
(CHEMBL3746188)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6]-[#6]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C31H49ClN10O16P4S4.4Na/c1-3-5-7-9-65-30-37-23(33)17-25(39-30)41(13-35-17)27-21(45)19(43)15(55-27)11-53-61(51,63)57-59(47,48)29(32)60(49,50)58-62(52,64)54-12-16-20(44)22(46)28(56-16)42-14-36-18-24(34)38-31(40-26(18)42)66-10-8-6-4-2;;;;/h13-16,19-22,27-29,43-46H,3-12H2,1-2H3,(H,47,48)(H,49,50)(H,51,63)(H,52,64)(H2,33,37,39)(H2,34,38,40);;;;/q;4*+1/p-4/t15-,16-,19-,20-,21-,22-,27-,28-,29?,61?,62?;;;;/m1..../s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500450
PNG
(CHEMBL3746188)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6]-[#6]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C31H49ClN10O16P4S4.4Na/c1-3-5-7-9-65-30-37-23(33)17-25(39-30)41(13-35-17)27-21(45)19(43)15(55-27)11-53-61(51,63)57-59(47,48)29(32)60(49,50)58-62(52,64)54-12-16-20(44)22(46)28(56-16)42-14-36-18-24(34)38-31(40-26(18)42)66-10-8-6-4-2;;;;/h13-16,19-22,27-29,43-46H,3-12H2,1-2H3,(H,47,48)(H,49,50)(H,51,63)(H,52,64)(H2,33,37,39)(H2,34,38,40);;;;/q;4*+1/p-4/t15-,16-,19-,20-,21-,22-,27-,28-,29?,61?,62?;;;;/m1..../s1
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n/an/a 4.21E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500438
PNG
(CHEMBL3745979)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C22H32N10O19P4S2.4Na/c1-56-21-27-15(23)9-17(29-21)31(5-25-9)19-13(35)11(33)7(47-19)3-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-4-8-12(34)14(36)20(48-8)32-6-26-10-16(24)28-22(57-2)30-18(10)32;;;;/h5-8,11-14,19-20,33-36H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,27,29)(H2,24,28,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m1..../s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500449
PNG
(CHEMBL3746192)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(-[#16]-[#6]-[#6]C(F)(F)F)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(-[#16]-[#6]-[#6]C(F)(F)F)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C27H35ClF6N10O16P4S4.4Na/c28-23(61(49,50)59-63(53,65)55-5-9-13(45)15(47)21(57-9)43-7-37-11-17(35)39-24(41-19(11)43)67-3-1-26(29,30)31)62(51,52)60-64(54,66)56-6-10-14(46)16(48)22(58-10)44-8-38-12-18(36)40-25(42-20(12)44)68-4-2-27(32,33)34;;;;/h7-10,13-16,21-23,45-48H,1-6H2,(H,49,50)(H,51,52)(H,53,65)(H,54,66)(H2,35,39,41)(H2,36,40,42);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,63?,64?;;;;/m1..../s1
PDB

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n/an/a 5.20E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500440
PNG
(CHEMBL3745863)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C27H41ClN10O16P4S4.4Na/c1-3-5-61-26-33-19(29)13-21(35-26)37(9-31-13)23-17(41)15(39)11(51-23)7-49-57(47,59)53-55(43,44)25(28)56(45,46)54-58(48,60)50-8-12-16(40)18(42)24(52-12)38-10-32-14-20(30)34-27(36-22(14)38)62-6-4-2;;;;/h9-12,15-18,23-25,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H2,29,33,35)(H2,30,34,36);;;;/q;4*+1/p-4/t11-,12-,15-,16-,17-,18-,23-,24-,25?,57?,58?;;;;/m1..../s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500441
PNG
(CHEMBL3746502)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(Cl)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(Cl)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27Cl3N10O16P4S2.4Na/c22-19-29-13(25)7-15(31-19)33(3-27-7)17-11(37)9(35)5(47-17)1-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-20(23)32-16(8)34;;;;/h3-6,9-12,17-18,21,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,21?,53?,54?;;;;/m1..../s1
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n/an/a 7.37E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500437
PNG
(CHEMBL3746451)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#7]-c1ncnc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6]-[#6]-[#6])ncnc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C27H41ClN10O16P4S2.4Na/c1-3-5-29-21-15-23(33-9-31-21)37(11-35-15)25-19(41)17(39)13(51-25)7-49-57(47,59)53-55(43,44)27(28)56(45,46)54-58(48,60)50-8-14-18(40)20(42)26(52-14)38-12-36-16-22(30-6-4-2)32-10-34-24(16)38;;;;/h9-14,17-20,25-27,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H,29,31,33)(H,30,32,34);;;;/q;4*+1/p-4/t13-,14-,17-,18-,19-,20-,25-,26-,27?,57?,58?;;;;/m1..../s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500441
PNG
(CHEMBL3746502)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(Cl)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(Cl)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27Cl3N10O16P4S2.4Na/c22-19-29-13(25)7-15(31-19)33(3-27-7)17-11(37)9(35)5(47-17)1-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-20(23)32-16(8)34;;;;/h3-6,9-12,17-18,21,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,21?,53?,54?;;;;/m1..../s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500444
PNG
(CHEMBL3747704)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C25H37ClN10O16P4S4.4Na/c1-3-59-24-31-17(27)11-19(33-24)35(7-29-11)21-15(39)13(37)9(49-21)5-47-55(45,57)51-53(41,42)23(26)54(43,44)52-56(46,58)48-6-10-14(38)16(40)22(50-10)36-8-30-12-18(28)32-25(60-4-2)34-20(12)36;;;;/h7-10,13-16,21-23,37-40H,3-6H2,1-2H3,(H,41,42)(H,43,44)(H,45,57)(H,46,58)(H2,27,31,33)(H2,28,32,34);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,55?,56?;;;;/m1..../s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500446
PNG
(CHEMBL3747288)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1ncnc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])ncnc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H29ClN10O16P4S2.4Na/c22-21(49(37,38)47-51(41,53)43-1-7-11(33)13(35)19(45-7)31-5-29-9-15(23)25-3-27-17(9)31)50(39,40)48-52(42,54)44-2-8-12(34)14(36)20(46-8)32-6-30-10-16(24)26-4-28-18(10)32;;;;/h3-8,11-14,19-21,33-36H,1-2H2,(H,37,38)(H,39,40)(H,41,53)(H,42,54)(H2,23,25,27)(H2,24,26,28);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-,21?,51?,52?;;;;/m1..../s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50500451
PNG
(CHEMBL3746620)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#16]-c1nc(-[#7])c2ncn(-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-4-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-4-[#8])-n4cnc5c(-[#7])nc(-[#16]-[#6])nc45)-[#6@@H](-[#8])-[#6@H]-3-[#8])c2n1 |r|
Show InChI InChI=1S/C23H33ClN10O18P4S2.4Na/c1-57-22-29-15(25)9-17(31-22)33(5-27-9)19-13(37)11(35)7(49-19)3-47-55(43,44)51-53(39,40)21(24)54(41,42)52-56(45,46)48-4-8-12(36)14(38)20(50-8)34-6-28-10-16(26)30-23(58-2)32-18(10)34;;;;/h5-8,11-14,19-21,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m1..../s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining base...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500437
PNG
(CHEMBL3746451)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]-[#6]-[#7]-c1ncnc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6]-[#6]-[#6])ncnc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C27H41ClN10O16P4S2.4Na/c1-3-5-29-21-15-23(33-9-31-21)37(11-35-15)25-19(41)17(39)13(51-25)7-49-57(47,59)53-55(43,44)27(28)56(45,46)54-58(48,60)50-8-14-18(40)20(42)26(52-14)38-12-36-16-22(30-6-4-2)32-10-34-24(16)38;;;;/h9-14,17-20,25-27,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H,29,31,33)(H,30,32,34);;;;/q;4*+1/p-4/t13-,14-,17-,18-,19-,20-,25-,26-,27?,57?,58?;;;;/m1..../s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500448
PNG
(CHEMBL3746177)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#7]-c1ncnc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7]-[#6])ncnc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C23H33ClN10O16P4S2.4Na/c1-25-17-11-19(29-5-27-17)33(7-31-11)21-15(37)13(35)9(47-21)3-45-53(43,55)49-51(39,40)23(24)52(41,42)50-54(44,56)46-4-10-14(36)16(38)22(48-10)34-8-32-12-18(26-2)28-6-30-20(12)34;;;;/h5-10,13-16,21-23,35-38H,3-4H2,1-2H3,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H,25,27,29)(H,26,28,30);;;;/q;4*+1/p-4/t9-,10-,13-,14-,15-,16-,21-,22-,23?,53?,54?;;;;/m1..../s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50118220
PNG
((ppA)2 | A(5')p4(5')A | CHEMBL339385 | P(1),P(4)-b...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/a<2.50E+5n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Partial antagonist activity at human platelet P2Y12 receptor assessed as inhibition of PGE1/ADP-mediated decrease in intra-platelet phosphorylated VA...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%