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PubMed code 23668989

Compile data set for download or QSAR
Found 28 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 1


(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 Company

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: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435813
PNG
(CHEMBL2393200)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N4O2S/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(34-22)15-10-12-16(13-11-15)33-24(25,26)27/h4-14H,1-3H3,(H,29,31)
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 10n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435825
PNG
(CHEMBL2393213)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-23(2,3)17-12-7-8-14-19(17)28-20-18(13-9-15-24-20)25-22-27-26-21(29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435828
PNG
(CHEMBL2390979)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-16-12-10-15(11-13-16)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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 15n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 Company

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: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435807
PNG
(CHEMBL2393206)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H24N4OS/c1-27(2,3)21-11-6-7-13-23(21)32-24-22(12-8-16-28-24)29-26-31-30-25(33-26)20-15-14-18-9-4-5-10-19(18)17-20/h4-17H,1-3H3,(H,29,31)
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 18n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435819
PNG
(CHEMBL2393219)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-20(18)28-23-19(13-9-15-25-23)26-22-16-21(29-27-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H,26,27)
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 19n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435806
PNG
(CHEMBL2393207)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C22H21N5OS/c1-22(2,3)15-9-4-5-12-18(15)28-19-16(11-8-14-24-19)25-21-27-26-20(29-21)17-10-6-7-13-23-17/h4-14H,1-3H3,(H,25,27)
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 21n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435818
PNG
(CHEMBL2393220)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-21(18)28-23-19(13-9-15-25-23)26-22-16-20(27-29-22)17-10-5-4-6-11-17/h4-16,26H,1-3H3
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 23n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435824
PNG
(CHEMBL2393214)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(27-29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,26,27)
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 25n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435811
PNG
(CHEMBL2393202)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C25H27N5OS/c1-25(2,3)19-9-6-7-11-21(19)31-22-20(10-8-16-26-22)27-24-29-28-23(32-24)17-12-14-18(15-13-17)30(4)5/h6-16H,1-5H3,(H,27,29)
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 27n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435827
PNG
(CHEMBL2393210)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-22(2,3)17-12-7-8-14-19(17)27-20-18(13-9-15-23-20)25-21(26)24-16-10-5-4-6-11-16/h4-15H,1-3H3,(H2,24,25,26)
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 41n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435817
PNG
(CHEMBL2393196)
Show SMILES Cn1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(29(4)28-23)18-11-6-5-7-12-18/h5-17H,1-4H3,(H,27,28)
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 45n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435810
PNG
(CHEMBL2393203)
Show SMILES CN(C)c1cccc(c1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C25H27N5OS/c1-25(2,3)19-12-6-7-14-21(19)31-22-20(13-9-15-26-22)27-24-29-28-23(32-24)17-10-8-11-18(16-17)30(4)5/h6-16H,1-5H3,(H,27,29)
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 55n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435826
PNG
(CHEMBL2393212)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/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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 59n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435822
PNG
(CHEMBL2393216)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-27-26-20(29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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 70n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435802
PNG
(CHEMBL2393195)
Show SMILES CCOC(=O)c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C20H22N4O3S/c1-5-26-18(25)17-23-24-19(28-17)22-14-10-8-12-21-16(14)27-15-11-7-6-9-13(15)20(2,3)4/h6-12H,5H2,1-4H3,(H,22,24)
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 90n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435809
PNG
(CHEMBL2393204)
Show SMILES CN(C)Cc1ccc(cc1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C26H29N5OS/c1-26(2,3)20-9-6-7-11-22(20)32-23-21(10-8-16-27-23)28-25-30-29-24(33-25)19-14-12-18(13-15-19)17-31(4)5/h6-16H,17H2,1-5H3,(H,28,30)
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 250n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435804
PNG
(CHEMBL2393209)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C22H21N5OS/c1-22(2,3)16-7-4-5-9-18(16)28-19-17(8-6-12-24-19)25-21-27-26-20(29-21)15-10-13-23-14-11-15/h4-14H,1-3H3,(H,25,27)
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 275n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435805
PNG
(CHEMBL2393208)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1cccnc1
Show InChI InChI=1S/C22H21N5OS/c1-22(2,3)16-9-4-5-11-18(16)28-19-17(10-7-13-24-19)25-21-27-26-20(29-21)15-8-6-12-23-14-15/h4-14H,1-3H3,(H,25,27)
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 340n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435821
PNG
(CHEMBL2393217)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1noc(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(29-27-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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 410n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435808
PNG
(CHEMBL2393205)
Show SMILES CN(C)Cc1cccc(c1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C26H29N5OS/c1-26(2,3)20-12-6-7-14-22(20)32-23-21(13-9-15-27-23)28-25-30-29-24(33-25)19-11-8-10-18(16-19)17-31(4)5/h6-16H,17H2,1-5H3,(H,28,30)
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 670n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435815
PNG
(CHEMBL2393198)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-24(2,3)18-12-7-8-14-21(18)29-23-19(13-9-15-25-23)26-22-16-20(27-28-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H2,26,27,28)
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 870n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435823
PNG
(CHEMBL2393215)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-23(2,3)17-12-7-8-14-19(17)28-20-18(13-9-15-24-20)25-22-26-21(29-27-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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 1.50E+3n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435820
PNG
(CHEMBL2393218)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1N=C1NCC(O1)c1ccccc1 |w:17.18|
Show InChI InChI=1S/C24H25N3O2/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/h4-15,21H,16H2,1-3H3,(H,26,27)
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 2.50E+3n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435814
PNG
(CHEMBL2393199)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nncs1
Show InChI InChI=1S/C17H18N4OS/c1-17(2,3)12-7-4-5-9-14(12)22-15-13(8-6-10-18-15)20-16-21-19-11-23-16/h4-11H,1-3H3,(H,20,21)
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 2.73E+3n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435803
PNG
(CHEMBL2393194)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)C(O)=O
Show InChI InChI=1S/C18H18N4O3S/c1-18(2,3)11-7-4-5-9-13(11)25-14-12(8-6-10-19-14)20-17-22-21-15(26-17)16(23)24/h4-10H,1-3H3,(H,20,22)(H,23,24)
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 2.90E+3n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435816
PNG
(CHEMBL2393197)
Show SMILES Cn1nc(cc1Nc1cccnc1Oc1ccccc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(28-29(23)4)18-11-6-5-7-12-18/h5-17,27H,1-4H3
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>3.60E+4n/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 expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%