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Compile Data Set for Download or QSAR

Found 600 hits with Last Name = 'huang' and Initial = 'cs'   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017021
PNG
(CHEMBL3287047 | US9428504, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y1 receptor in human platelets


Bioorg Med Chem Lett 24: 1294-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.066
BindingDB Entry DOI: 10.7270/Q20G3MQF
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445214
PNG
(CHEMBL3104636)
Show SMILES CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)
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4.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445208
PNG
(CHEMBL3105199)
Show SMILES CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc21
Show InChI InChI=1S/C32H37F3N4O2/c1-30(2,3)22-38-19-16-31(17-20-38)18-21-39(27-10-6-4-8-25(27)31)28-11-7-5-9-26(28)37-29(40)36-23-12-14-24(15-13-23)41-32(33,34)35/h4-15H,16-22H2,1-3H3,(H2,36,37,40)
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4.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436912
PNG
(CHEMBL2401804)
Show SMILES CCOC(=O)c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O3S/c1-5-30-19(29)16-17(22(23,24)25)28-20(32-16)27-14-10-8-12-26-18(14)31-15-11-7-6-9-13(15)21(2,3)4/h6-12H,5H2,1-4H3,(H,27,28)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015290
PNG
(CHEMBL3263070 | US9120798, 30)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H33F4N5O2S/c1-30(2,3)18-40-16-14-31(15-17-40)19-41(27-25(42)13-12-22(33)26(27)31)24-7-5-4-6-23(24)37-29-39-38-28(44-29)20-8-10-21(11-9-20)43-32(34,35)36/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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5.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445201
PNG
(CHEMBL3105201)
Show SMILES CC(C)(C)CN1CCC2(C1)CN(c1ccccc21)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H33F3N4O2/c1-28(2,3)18-36-17-16-29(19-36)20-37(25-10-6-4-8-23(25)29)26-11-7-5-9-24(26)35-27(38)34-21-12-14-22(15-13-21)39-30(31,32)33/h4-15H,16-20H2,1-3H3,(H2,34,35,38)
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5.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445213
PNG
(CHEMBL3104624)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C27H26F3N3O2/c28-27(29,30)35-20-14-12-19(13-15-20)31-25(34)32-22-9-3-5-11-24(22)33-18-26(16-6-1-7-17-26)21-8-2-4-10-23(21)33/h2-5,8-15H,1,6-7,16-18H2,(H2,31,32,34)
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5.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(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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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


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
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015278
PNG
(CHEMBL3263058 | US9120798, 35)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(ns2)-c2ccccc2)CC1
Show InChI InChI=1S/C31H34ClN5OS/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-34-28(35-39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,34,35)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


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
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436910
PNG
(CHEMBL2401853)
Show SMILES Cc1noc(n1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O2S/c1-12-27-19(32-30-12)16-17(22(23,24)25)29-20(33-16)28-14-9-7-11-26-18(14)31-15-10-6-5-8-13(15)21(2,3)4/h5-11H,1-4H3,(H,28,29)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015279
PNG
(CHEMBL3263059)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(o2)-c2ccccc2)CC1
Show InChI InChI=1S/C31H34ClN5O2/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-35-34-28(39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,35)
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6.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015295
PNG
(CHEMBL3263075 | US9120798, 12)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1
Show InChI InChI=1S/C29H32ClN7OS/c1-28(2,3)17-36-14-10-29(11-15-36)18-37(25-23(38)9-8-19(30)24(25)29)22-7-5-4-6-20(22)33-27-35-34-26(39-27)21-16-31-12-13-32-21/h4-9,12-13,16,38H,10-11,14-15,17-18H2,1-3H3,(H,33,35)
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015296
PNG
(CHEMBL3263076 | US9120798, 13)
Show SMILES Cc1cc(-c2nnc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)s2)n(C)n1
Show InChI InChI=1S/C30H36ClN7OS/c1-19-16-23(36(5)35-19)27-33-34-28(40-27)32-21-8-6-7-9-22(21)38-18-30(25-20(31)10-11-24(39)26(25)38)12-14-37(15-13-30)17-29(2,3)4/h6-11,16,39H,12-15,17-18H2,1-5H3,(H,32,34)
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445211
PNG
(CHEMBL3103636)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C26H24F3N3O2/c27-26(28,29)34-19-13-11-18(12-14-19)30-24(33)31-21-8-2-4-10-23(21)32-17-25(15-5-6-16-25)20-7-1-3-9-22(20)32/h1-4,7-14H,5-6,15-17H2,(H2,30,31,33)
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6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436916
PNG
(CHEMBL2401800)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3OS/c1-24(2,3)17-12-7-8-14-19(17)32-22-18(13-9-15-29-22)30-23-31-21(25(26,27)28)20(33-23)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,30,31)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436906
PNG
(CHEMBL2401857)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C25H21F4N3OS/c1-24(2,3)16-10-5-7-13-19(16)33-22-18(12-8-14-30-22)31-23-32-21(25(27,28)29)20(34-23)15-9-4-6-11-17(15)26/h4-14H,1-3H3,(H,31,32)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433804
PNG
(CHEMBL2381888)
Show SMILES COC(=O)C1(CC1)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C27H29N3O4/c1-26(2,3)20-8-5-6-10-22(20)34-23-21(9-7-17-28-23)30-25(32)29-19-13-11-18(12-14-19)27(15-16-27)24(31)33-4/h5-14,17H,15-16H2,1-4H3,(H2,29,30,32)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50435812
PNG
(CHEMBL2393201)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50429541
PNG
(CHEMBL2333766)
Show SMILES Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
Show InChI InChI=1S/C23H25N3O2/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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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433798
PNG
(CHEMBL2381894)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C33H37N5O2/c1-33(2,3)28-12-7-8-14-30(28)40-31-29(13-9-19-34-31)36-32(39)35-26-15-17-27(18-16-26)38-22-20-37(21-23-38)24-25-10-5-4-6-11-25/h4-19H,20-24H2,1-3H3,(H2,35,36,39)
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445210
PNG
(CHEMBL3102866)
Show SMILES CC1(C)CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C25H24F3N3O2/c1-24(2)15-16-31(21-9-5-3-7-19(21)24)22-10-6-4-8-20(22)30-23(32)29-17-11-13-18(14-12-17)33-25(26,27)28/h3-14H,15-16H2,1-2H3,(H2,29,30,32)
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7.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445207
PNG
(CHEMBL3103635)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCC3)c3ccccc23)cc1
Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)33-18-12-10-17(11-13-18)29-23(32)30-20-7-2-4-9-22(20)31-16-24(14-5-15-24)19-6-1-3-8-21(19)31/h1-4,6-13H,5,14-16H2,(H2,29,30,32)
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7.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015289
PNG
(CHEMBL3263069 | US9120798, 44)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1Nc1nnc(s1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C37H45N5O3S/c1-35(2,3)22-41-20-18-37(19-21-41)23-42(31-29(43)17-16-26(30(31)37)33(44)45-7)28-11-9-8-10-27(28)38-34-40-39-32(46-34)24-12-14-25(15-13-24)36(4,5)6/h8-17,43H,18-23H2,1-7H3,(H,38,40)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436907
PNG
(CHEMBL2401856)
Show SMILES Cc1ccc(cc1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N3OS/c1-16-11-13-17(14-12-16)21-22(26(27,28)29)32-24(34-21)31-19-9-7-15-30-23(19)33-20-10-6-5-8-18(20)25(2,3)4/h5-15H,1-4H3,(H,31,32)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436905
PNG
(CHEMBL2401858)
Show SMILES COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N3O2S/c1-25(2,3)18-11-5-6-13-20(18)34-23-19(12-8-14-30-23)31-24-32-22(26(27,28)29)21(35-24)16-9-7-10-17(15-16)33-4/h5-15H,1-4H3,(H,31,32)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015276
PNG
(CHEMBL3263056 | US9428504, 166 | US9428504, 167)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436904
PNG
(CHEMBL2401859)
Show SMILES COc1ccc(cc1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N3O2S/c1-25(2,3)18-8-5-6-10-20(18)34-23-19(9-7-15-30-23)31-24-32-22(26(27,28)29)21(35-24)16-11-13-17(33-4)14-12-16/h5-15H,1-4H3,(H,31,32)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445209
PNG
(CHEMBL3103625 | US9540323, Comparator 2 | US954032...)
Show SMILES CC1(C)CN(c2ccccc12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H22F3N3O2/c1-23(2)15-30(20-9-5-3-7-18(20)23)21-10-6-4-8-19(21)29-22(31)28-16-11-13-17(14-12-16)32-24(25,26)27/h3-14H,15H2,1-2H3,(H2,28,29,31)
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8.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015277
PNG
(CHEMBL3263057 | US9120798, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H34F3N5OS/c1-30(2,3)19-39-17-15-31(16-18-39)20-40(27-25(41)14-13-22(26(27)31)32(33,34)35)24-12-8-7-11-23(24)36-29-38-37-28(42-29)21-9-5-4-6-10-21/h4-14,41H,15-20H2,1-3H3,(H,36,38)
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9.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015288
PNG
(CHEMBL3263068 | US9120798, 46)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C36H42N6OS/c1-34(2,3)22-41-19-17-36(18-20-41)23-42(31-29(43)16-13-25(21-37)30(31)36)28-10-8-7-9-27(28)38-33-40-39-32(44-33)24-11-14-26(15-12-24)35(4,5)6/h7-16,43H,17-20,22-23H2,1-6H3,(H,38,40)
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9.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50444488
PNG
(CHEMBL3092613)
Show SMILES CC(C)(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N4O3/c1-26(2,3)17-34-15-13-21-18(16-34)6-4-8-23(21)36-24-22(7-5-14-31-24)33-25(35)32-19-9-11-20(12-10-19)37-27(28,29)30/h4-12,14H,13,15-17H2,1-3H3,(H2,32,33,35)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method


Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436913
PNG
(CHEMBL2401803)
Show SMILES Cc1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C20H20F3N3OS/c1-12-16(20(21,22)23)26-18(28-12)25-14-9-7-11-24-17(14)27-15-10-6-5-8-13(15)19(2,3)4/h5-11H,1-4H3,(H,25,26)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433789
PNG
(CHEMBL2381904)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1F
Show InChI InChI=1S/C35H39FN4O3/c1-35(2,3)28-12-7-8-14-32(28)43-33-31(13-9-19-37-33)39-34(41)38-30-16-15-27(22-29(30)36)42-24-26-17-20-40(21-18-26)23-25-10-5-4-6-11-25/h4-16,19,22,26H,17-18,20-21,23-24H2,1-3H3,(H2,38,39,41)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433797
PNG
(CHEMBL2381895)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C27H32N4O2/c1-27(2,3)22-10-5-6-12-24(22)33-25-23(11-9-17-28-25)30-26(32)29-20-13-15-21(16-14-20)31-18-7-4-8-19-31/h5-6,9-17H,4,7-8,18-19H2,1-3H3,(H2,29,30,32)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436908
PNG
(CHEMBL2401855)
Show SMILES Cc1ccccc1-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C26H24F3N3OS/c1-16-10-5-6-11-17(16)21-22(26(27,28)29)32-24(34-21)31-19-13-9-15-30-23(19)33-20-14-8-7-12-18(20)25(2,3)4/h5-15H,1-4H3,(H,31,32)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436903
PNG
(CHEMBL2401860)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F6N3O2S/c1-24(2,3)17-7-4-5-9-19(17)36-22-18(8-6-14-33-22)34-23-35-21(25(27,28)29)20(38-23)15-10-12-16(13-11-15)37-26(30,31)32/h4-14H,1-3H3,(H,34,35)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436918
PNG
(CHEMBL2401798)
Show SMILES CCc1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1
Show InChI InChI=1S/C26H27N3OS/c1-5-20-23(18-12-7-6-8-13-18)31-25(28-20)29-21-15-11-17-27-24(21)30-22-16-10-9-14-19(22)26(2,3)4/h6-17H,5H2,1-4H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445206
PNG
(CHEMBL3105195)
Show SMILES CC(C)(C)CN1CCC2(CN(c3cnccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C30H34F3N5O2/c1-28(2,3)19-37-16-13-29(14-17-37)20-38(26-18-34-15-12-23(26)29)25-7-5-4-6-24(25)36-27(39)35-21-8-10-22(11-9-21)40-30(31,32)33/h4-12,15,18H,13-14,16-17,19-20H2,1-3H3,(H2,35,36,39)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436899
PNG
(CHEMBL2401864)
Show SMILES CN(C)CC(C)(C)COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C32H37F3N4O2S/c1-30(2,3)23-14-8-9-16-25(23)41-28-24(15-11-17-36-28)37-29-38-27(32(33,34)35)26(42-29)21-12-10-13-22(18-21)40-20-31(4,5)19-39(6)7/h8-18H,19-20H2,1-7H3,(H,37,38)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436899
PNG
(CHEMBL2401864)
Show SMILES CN(C)CC(C)(C)COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
Show InChI InChI=1S/C32H37F3N4O2S/c1-30(2,3)23-14-8-9-16-25(23)41-28-24(15-11-17-36-28)37-29-38-27(32(33,34)35)26(42-29)21-12-10-13-22(18-21)40-20-31(4,5)19-39(6)7/h8-18H,19-20H2,1-7H3,(H,37,38)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50436902
PNG
(CHEMBL2401861)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4OS/c1-25(2,3)18-7-4-5-9-20(18)34-23-19(8-6-14-31-23)32-24-33-22(26(27,28)29)21(35-24)17-12-10-16(15-30)11-13-17/h4-14H,1-3H3,(H,32,33)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445205
PNG
(CHEMBL3105200)
Show SMILES CC(C)(C)CN1CCCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1
Show InChI InChI=1S/C31H35F3N4O2/c1-29(2,3)19-37-18-8-17-30(20-37)21-38(26-11-6-4-9-24(26)30)27-12-7-5-10-25(27)36-28(39)35-22-13-15-23(16-14-22)40-31(32,33)34/h4-7,9-16H,8,17-21H2,1-3H3,(H2,35,36,39)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50445204
PNG
(CHEMBL3104630)
Show SMILES COC(=O)N1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C28H27F3N4O4/c1-38-26(37)34-16-14-27(15-17-34)18-35(23-8-4-2-6-21(23)27)24-9-5-3-7-22(24)33-25(36)32-19-10-12-20(13-11-19)39-28(29,30)31/h2-13H,14-18H2,1H3,(H2,32,33,36)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015294
PNG
(CHEMBL3263074 | US9120798, 21)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-7-5-4-6-23(24)34-29-36-35-28(40-29)20-8-10-21(32)11-9-20/h4-13,39H,14-19H2,1-3H3,(H,34,36)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015291
PNG
(CHEMBL3263071 | US9120798, 26)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H33ClF3N5O2S/c1-30(2,3)18-40-16-14-31(15-17-40)19-41(27-25(42)13-12-22(33)26(27)31)24-7-5-4-6-23(24)37-29-39-38-28(44-29)20-8-10-21(11-9-20)43-32(34,35)36/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis


Bioorg Med Chem Lett 24: 2481-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.011
BindingDB Entry DOI: 10.7270/Q2R78GS0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50435829
PNG
(CHEMBL2393211)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C24H23N3OS/c1-24(2,3)18-12-7-8-14-20(18)28-22-19(13-9-15-25-22)27-23-26-16-21(29-23)17-10-5-4-6-11-17/h4-16H,1-3H3,(H,26,27)
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4206-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.025
BindingDB Entry DOI: 10.7270/Q26M388Q
More data for this
Ligand-Target Pair
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