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Compile Data Set for Download or QSAR

Found 493 hits of affinity data for UniProtKB/TrEMBL: P41231   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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22n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(2-(4-(2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4-lambda4,5-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazab...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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35n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of N-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)-amino)pro...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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42n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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48n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of N-(2-(2-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)amin...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271600
PNG
(CHEMBL4086462)
Show SMILES [Na+].[Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)n1cc(C2c3ccccc3CCc3ccccc23)c(=S)[nH]c1=O
Show InChI InChI=1S/C25H27Cl2N2O13P3S.4Na/c26-25(27,43(33,34)35)44(36,37)42-45(38,39)40-12-18-20(30)21(31)23(41-18)29-11-17(22(46)28-24(29)32)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19;;;;/h1-8,11,18-21,23,30-31H,9-10,12H2,(H,36,37)(H,38,39)(H,28,32,46)(H2,33,34,35);;;;/q;4*+1/p-4/t18-,20-,21-,23-;;;;/m1..../s1
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83n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271596
PNG
(CHEMBL4128126)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2nc(cs2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C27H22N8O2S2/c1-14-3-7-18-16(9-14)5-6-17-10-15(2)4-8-19(17)23(18)20-11-35(27(37)30-25(20)38)12-22-28-21(13-39-22)24(36)29-26-31-33-34-32-26/h3-11,13,23H,12H2,1-2H3,(H,30,37,38)(H2,29,31,32,33,34,36)
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129n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271589
PNG
(CHEMBL4128024)
Show SMILES Cc1ccc2C(c3ccc(C)cc3CCc2c1)c1cn(Cc2cc(cc(c2)C(O)=O)C(O)=O)c(=O)[nH]c1=S
Show InChI InChI=1S/C30H26N2O5S/c1-16-3-7-23-19(9-16)5-6-20-10-17(2)4-8-24(20)26(23)25-15-32(30(37)31-27(25)38)14-18-11-21(28(33)34)13-22(12-18)29(35)36/h3-4,7-13,15,26H,5-6,14H2,1-2H3,(H,33,34)(H,35,36)(H,31,37,38)
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145n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271599
PNG
(CHEMBL4128208)
Show SMILES CCOCCNc1nc2[C@@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S
Show InChI InChI=1S/C21H21ClN4O2S2/c1-3-28-9-8-23-20-24-18-16(30-20)7-4-12-10-13(22)5-6-14(12)17(18)15-11-26(2)21(27)25-19(15)29/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,23,24)(H,25,27,29)/t17-/m0/s1
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275n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271569
PNG
(CHEMBL4128318)
Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F
Show InChI InChI=1S/C42H47BClF2N9O4S2/c1-25-21-26(2)54-33(25)23-30-11-10-29(55(30)43(54,45)46)12-15-36(57)47-17-6-4-5-7-35(56)48-19-20-49-37(58)16-18-50-41-51-39-34(61-41)14-8-27-22-28(44)9-13-31(27)38(39)32-24-53(3)42(59)52-40(32)60/h8-11,13-14,21-24,38H,4-7,12,15-20H2,1-3H3,(H,47,57)(H,48,56)(H,49,58)(H,50,51)(H,52,59,60)
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398n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271597
PNG
(CHEMBL4127983)
Show SMILES Cc1nc2C(c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S
Show InChI InChI=1S/C18H14ClN3OS2/c1-9-20-16-14(25-9)6-3-10-7-11(19)4-5-12(10)15(16)13-8-22(2)18(23)21-17(13)24/h3-8,15H,1-2H3,(H,21,23,24)
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1.55E+3n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50429538
PNG
(CHEMBL2333767)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Sc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3OS/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
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2.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50205417
PNG
(CHEMBL220200 | UTP-gamma-S)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(S)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271598
PNG
(CHEMBL4128059)
Show SMILES CCOCCNc1nc2[C@H](c3ccc(Cl)cc3C=Cc2s1)c1cn(C)c(=O)[nH]c1=S
Show InChI InChI=1S/C21H21ClN4O2S2/c1-3-28-9-8-23-20-24-18-16(30-20)7-4-12-10-13(22)5-6-14(12)17(18)15-11-26(2)21(27)25-19(15)29/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,23,24)(H,25,27,29)/t17-/m1/s1
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5.25E+3n/an/an/an/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl...


J Med Chem 61: 3089-3113 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00139
BindingDB Entry DOI: 10.7270/Q21C20CD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50429534
PNG
(CHEMBL2333773)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H20F3N3O3/c1-14(2)17-6-3-4-8-19(17)30-20-18(7-5-13-26-20)28-21(29)27-15-9-11-16(12-10-15)31-22(23,24)25/h3-14H,1-2H3,(H2,27,28,29)
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6.40E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50429536
PNG
(CHEMBL2333771)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)18-13-15-19(16-14-18)28-24(30)29-21-11-9-17-27-23(21)31-22-12-8-7-10-20(22)26(4,5)6/h7-17H,1-6H3,(H2,28,29,30)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50429535
PNG
(CHEMBL2333772)
Show SMILES CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50429537
PNG
(CHEMBL2333770)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human P2Y2 receptor


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to P2Y2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.125
BindingDB Entry DOI: 10.7270/Q2PN9714
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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n/an/a 57n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-ind...


J Med Chem 52: 2762-75 (2009)


Article DOI: 10.1021/jm801442p
BindingDB Entry DOI: 10.7270/Q2QC04FD
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay


J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558923
PNG
(CHEMBL4743246)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1
Show InChI InChI=1S/C19H13ClN2O6S/c20-14-4-1-3-13(11-14)19(23)21-15-7-9-18(10-8-15)29(26,27)28-17-6-2-5-16(12-17)22(24)25/h1-12H,(H,21,23)
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n/an/a 3.01E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50336787
PNG
(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 3.04E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558922
PNG
(CHEMBL4753843)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C19H13ClN2O6S/c20-14-6-4-13(5-7-14)19(23)21-15-8-10-18(11-9-15)29(26,27)28-17-3-1-2-16(12-17)22(24)25/h1-12H,(H,21,23)
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n/an/a 3.17E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50268874
PNG
(CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...)
Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1
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n/an/a 3.27E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay


J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558932
PNG
(CHEMBL4780920)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N2O6S/c1-14-4-2-5-15(12-14)20(23)21-16-8-10-19(11-9-16)29(26,27)28-18-7-3-6-17(13-18)22(24)25/h2-13H,1H3,(H,21,23)
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n/an/a 3.43E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50227016
PNG
(CHEMBL401859 | Sodium 1-amino-4-(4-anilinophenylam...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)cc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1
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n/an/a 3.93E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50268725
PNG
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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n/an/a 4.63E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay


J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50268725
PNG
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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n/an/a 4.63E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50227019
PNG
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 5.31E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50336792
PNG
(CHEMBL256688 | sodium 1-amino-4-(2,4-dimethylpheny...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-15(12(2)9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 5.43E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558924
PNG
(CHEMBL4741688)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1
Show InChI InChI=1S/C19H13FN2O6S/c20-14-4-1-3-13(11-14)19(23)21-15-7-9-18(10-8-15)29(26,27)28-17-6-2-5-16(12-17)22(24)25/h1-12H,(H,21,23)
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n/an/a 5.55E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50227032
PNG
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1
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n/an/a 5.61E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558921
PNG
(CHEMBL4743510)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1
Show InChI InChI=1S/C19H13ClN2O6S/c20-18-7-2-1-6-17(18)19(23)21-13-8-10-16(11-9-13)29(26,27)28-15-5-3-4-14(12-15)22(24)25/h1-12H,(H,21,23)
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n/an/a 5.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50227015
PNG
(CHEMBL271688 | Sodium 1-amino-4-(4-acetylaminophen...)
Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1
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n/an/a 5.81E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50237574
PNG
(CHEMBL4081274)
Show SMILES [Na+].Cc1ccc(C)c(Sc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2)c1
Show InChI InChI=1S/C28H22N2O5S2/c1-15-7-8-16(2)22(13-15)36-18-11-9-17(10-12-18)30-21-14-23(37(33,34)35)26(29)25-24(21)27(31)19-5-3-4-6-20(19)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)/p-1
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n/an/a 6.52E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilizati...


J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50268574
PNG
(CHEMBL498423 | Sodium 1-Amino-4-(1-naphthylamino)-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O
Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1
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n/an/a 6.67E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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n/an/a 7.52E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50336791
PNG
(CHEMBL402239 | sodium 1-amino-4-(2,3-dimethylpheny...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
Show InChI InChI=1S/C22H18N2O5S/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 7.95E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50237577
PNG
(CHEMBL4087247)
Show SMILES [Na+].Cc1ccc(Sc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2)c(C)c1
Show InChI InChI=1S/C28H22N2O5S2/c1-15-7-12-22(16(2)13-15)36-18-10-8-17(9-11-18)30-21-14-23(37(33,34)35)26(29)25-24(21)27(31)19-5-3-4-6-20(19)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)/p-1
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n/an/a 8.54E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilizati...


J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50371702
PNG
(CHEMBL402238)
Show SMILES CCc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O5S/c1-2-12-7-3-6-10-15(12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)13-8-4-5-9-14(13)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 9.26E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 9.82E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558899
PNG
(CHEMBL4755321)
Show SMILES Cc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(O)=O)c2)c1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-2-8-17(11-14)23-20(26)15-6-3-9-18(12-15)24-22(29)25-19-10-4-7-16(13-19)21(27)28/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558900
PNG
(CHEMBL4786643)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)Nc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-2-6-15(11-14)20(26)23-18-9-4-10-19(13-18)25-22(29)24-17-8-3-7-16(12-17)21(27)28/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558901
PNG
(CHEMBL4796055)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
Show InChI InChI=1S/C23H21N3O4/c1-15-5-3-6-16(13-15)21(27)24-18-9-11-19(12-10-18)25-23(29)26-20-8-4-7-17(14-20)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558902
PNG
(CHEMBL4786491)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(C)c2)c1
Show InChI InChI=1S/C23H21N3O4/c1-15-6-3-9-18(12-15)24-21(27)16-7-4-10-19(13-16)25-23(29)26-20-11-5-8-17(14-20)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558903
PNG
(CHEMBL4799394)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1
Show InChI InChI=1S/C23H21N3O4/c1-15-6-3-7-16(12-15)21(27)24-19-10-5-11-20(14-19)26-23(29)25-18-9-4-8-17(13-18)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Eur J Med Chem 186: (2020)

More data for this
Ligand-Target Pair
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