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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'yalamanchili' and Initial = 'g'   
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 P2Y12


(Homo sapiens (Human))
BDBM50302437
PNG
(3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302449
PNG
((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302452
PNG
((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302457
PNG
(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302437
PNG
(3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302459
PNG
((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...)
Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302449
PNG
((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302451
PNG
(CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302434
PNG
(CHEMBL585852 | biphenyl-4-yl(4-(6-ethylthieno[2,3-...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N4OS/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17H,2,12-15H2,1H3
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302452
PNG
((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...)
Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302453
PNG
(1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302458
PNG
(CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3
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35n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302446
PNG
(3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302444
PNG
(3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302454
PNG
(CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...)
Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302446
PNG
(3-(3-(6-ethyl-4-(4-isobutyrylpiperazin-1-yl)thieno...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)C(C)C
Show InChI InChI=1S/C20H28N6O4S/c1-4-13-11-14-16(25-7-9-26(10-8-25)18(29)12(2)3)22-19(23-17(14)31-13)24-20(30)21-6-5-15(27)28/h11-12H,4-10H2,1-3H3,(H,27,28)(H2,21,22,23,24,30)
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46n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302441
PNG
(3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)
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68n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302459
PNG
((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...)
Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1
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75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302450
PNG
(CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)
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78n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302457
PNG
(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)
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122n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302432
PNG
(CHEMBL566447 | naphthalen-1-yl 4-(6-ethylthieno[2,...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O2S/c1-2-17-14-19-21(24-15-25-22(19)30-17)26-10-12-27(13-11-26)23(28)29-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3
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130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302441
PNG
(3-(3-(4-(4-(2-(3,4-difluorophenyl)acetyl)piperazin...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C24H26F2N6O4S/c1-2-15-13-16-21(28-23(29-22(16)37-15)30-24(36)27-6-5-20(34)35)32-9-7-31(8-10-32)19(33)12-14-3-4-17(25)18(26)11-14/h3-4,11,13H,2,5-10,12H2,1H3,(H,34,35)(H2,27,28,29,30,36)
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140n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302444
PNG
(3-(3-(6-ethyl-4-(4-(5-phenylpicolinoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C28H29N7O4S/c1-2-20-16-21-24(31-27(32-25(21)40-20)33-28(39)29-11-10-23(36)37)34-12-14-35(15-13-34)26(38)22-9-8-19(17-30-22)18-6-4-3-5-7-18/h3-9,16-17H,2,10-15H2,1H3,(H,36,37)(H2,29,31,32,33,39)
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161n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302454
PNG
(CHEMBL565618 | biphenyl-4-yl(4-(6-ethyl-2-(2-hydro...)
Show SMILES CCc1cc2c(nc(NCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O2S/c1-2-22-18-23-24(29-27(28-12-17-33)30-25(23)35-22)31-13-15-32(16-14-31)26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,33H,2,12-17H2,1H3,(H,28,29,30)
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163n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302442
PNG
(3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
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172n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302442
PNG
(3-(3-(6-ethyl-4-(4-(3,3,3-trifluoropropanoyl)piper...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C19H23F3N6O4S/c1-2-11-9-12-15(28-7-5-27(6-8-28)13(29)10-19(20,21)22)24-17(25-16(12)33-11)26-18(32)23-4-3-14(30)31/h9H,2-8,10H2,1H3,(H,30,31)(H2,23,24,25,26,32)
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177n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302443
PNG
(3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)pip...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1
Show InChI InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)
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191n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302453
PNG
(1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCCC(C1)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)
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203n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302438
PNG
(3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
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213n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302447
PNG
(3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)
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223n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302447
PNG
(3-(3-(6-ethyl-4-(4-(2-phenylacetyl)piperazin-1-yl)...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O4S/c1-2-17-15-18-21(26-23(27-22(18)35-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,32,33)(H2,25,26,27,28,34)
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231n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302456
PNG
((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3
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240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302458
PNG
(CHEMBL585948 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O2S/c1-2-24-18-25-26(30-29(31-27(25)37-24)34-13-12-23(35)19-34)32-14-16-33(17-15-32)28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,18,23,35H,2,12-17,19H2,1H3
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241n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302440
PNG
(3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...)
Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12
Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)
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295n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302451
PNG
(CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3
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297n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302456
PNG
((4-(2-(4-aminopiperidin-1-yl)-6-ethylthieno[2,3-d]...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCC(N)CC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N6OS/c1-2-25-20-26-27(32-30(33-28(26)38-25)36-14-12-24(31)13-15-36)34-16-18-35(19-17-34)29(37)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,24H,2,12-19,31H2,1H3
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325n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302440
PNG
(3-(3-(6-ethyl-4-(4-propionylpiperazin-1-yl)thieno[...)
Show SMILES CCC(=O)N1CCN(CC1)c1nc(NC(=O)NCCC(O)=O)nc2sc(CC)cc12
Show InChI InChI=1S/C19H26N6O4S/c1-3-12-11-13-16(25-9-7-24(8-10-25)14(26)4-2)21-18(22-17(13)30-12)23-19(29)20-6-5-15(27)28/h11H,3-10H2,1-2H3,(H,27,28)(H2,20,21,22,23,29)
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367n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302439
PNG
(3-(3-(4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)
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380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302448
PNG
(CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3
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397n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302448
PNG
(CHEMBL566037 | biphenyl-4-yl(4-(6-ethyl-2-(piperaz...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3
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410n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302450
PNG
(CHEMBL585317 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...)
Show SMILES CCc1cc2c(nc(NCCCO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O2S/c1-2-23-19-24-25(30-28(29-13-6-18-34)31-26(24)36-23)32-14-16-33(17-15-32)27(35)22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12,19,34H,2,6,13-18H2,1H3,(H,29,30,31)
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441n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302443
PNG
(3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)pip...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1
Show InChI InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)
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447n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302439
PNG
(3-(3-(4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C18H24N6O4S/c1-3-12-10-13-15(24-8-6-23(7-9-24)11(2)25)20-17(21-16(13)29-12)22-18(28)19-5-4-14(26)27/h10H,3-9H2,1-2H3,(H,26,27)(H2,19,20,21,22,28)
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460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302445
PNG
(3-(3-(6-ethyl-4-(4-(2-phenoxyacetyl)piperazin-1-yl...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C24H28N6O5S/c1-2-17-14-18-21(26-23(27-22(18)36-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)15-35-16-6-4-3-5-7-16/h3-7,14H,2,8-13,15H2,1H3,(H,32,33)(H2,25,26,27,28,34)
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539n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302445
PNG
(3-(3-(6-ethyl-4-(4-(2-phenoxyacetyl)piperazin-1-yl...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1ccccc1
Show InChI InChI=1S/C24H28N6O5S/c1-2-17-14-18-21(26-23(27-22(18)36-17)28-24(34)25-9-8-20(32)33)30-12-10-29(11-13-30)19(31)15-35-16-6-4-3-5-7-16/h3-7,14H,2,8-13,15H2,1H3,(H,32,33)(H2,25,26,27,28,34)
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593n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302431
PNG
(1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H22N4OS/c1-2-16-13-17-19(21-14-22-20(17)26-16)24-10-8-23(9-11-24)18(25)12-15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3
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660n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302438
PNG
(3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1...)
Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
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783n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302455
PNG
(1-(4-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCN(CC1)C(=O)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31F3N6O2S/c1-2-24-20-25-26(35-30(36-27(25)43-24)40-18-16-39(17-19-40)29(42)31(32,33)34)37-12-14-38(15-13-37)28(41)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20H,2,12-19H2,1H3
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839n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302455
PNG
(1-(4-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...)
Show SMILES CCc1cc2c(nc(nc2s1)N1CCN(CC1)C(=O)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H31F3N6O2S/c1-2-24-20-25-26(35-30(36-27(25)43-24)40-18-16-39(17-19-40)29(42)31(32,33)34)37-12-14-38(15-13-37)28(41)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20H,2,12-19H2,1H3
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1.81E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302433
PNG
(1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin...)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)CC(C)C
Show InChI InChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3
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2.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane


Bioorg Med Chem Lett 19: 5919-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.059
BindingDB Entry DOI: 10.7270/Q2GT5N8K
More data for this
Ligand-Target Pair
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