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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'leininger' and Initial = 'mt'   
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))
BDBM50373326
PNG
(CHEMBL444278)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373304
PNG
(CHEMBL255724)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373331
PNG
(CHEMBL255095)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30N4O2/c1-5-21-10-6-8-12-25(21)32-27(18-20(4)31-32)34-26-13-9-7-11-24(26)30-28(33)29-23-16-14-22(15-17-23)19(2)3/h6-19H,5H2,1-4H3,(H2,29,30,33)
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373305
PNG
(CHEMBL256088)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCCC2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C28H27ClN4O2/c1-19-18-27(33(32-19)25-12-6-4-10-23(25)29)35-26-13-7-5-11-24(26)31-28(34)30-22-16-14-21(15-17-22)20-8-2-3-9-20/h4-7,10-18,20H,2-3,8-9H2,1H3,(H2,30,31,34)
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373303
PNG
(CHEMBL256141)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCCCC2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O2/c1-20-19-28(34(33-20)26-13-7-5-11-24(26)30)36-27-14-8-6-12-25(27)32-29(35)31-23-17-15-22(16-18-23)21-9-3-2-4-10-21/h5-8,11-19,21H,2-4,9-10H2,1H3,(H2,31,32,35)
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373324
PNG
(CHEMBL258406)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H23F3N4O3/c1-3-18-8-4-6-10-22(18)33-24(16-17(2)32-33)35-23-11-7-5-9-21(23)31-25(34)30-19-12-14-20(15-13-19)36-26(27,28)29/h4-16H,3H2,1-2H3,(H2,30,31,34)
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373307
PNG
(CHEMBL402837)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2/c1-3-18-8-4-6-10-22(18)33-24(16-17(2)32-33)35-23-11-7-5-9-21(23)31-25(34)30-20-14-12-19(13-15-20)26(27,28)29/h4-16H,3H2,1-2H3,(H2,30,31,34)
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60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373330
PNG
(CHEMBL257559)
Show SMILES CC(C)c1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N4O3/c1-17(2)21-8-4-6-10-23(21)34-25(16-18(3)33-34)36-24-11-7-5-9-22(24)32-26(35)31-19-12-14-20(15-13-19)37-27(28,29)30/h4-17H,1-3H3,(H2,31,32,35)
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60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373293
PNG
(CHEMBL255307)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N5O3/c1-3-17-7-4-5-9-21(17)33-22(15-16(2)32-33)35-23-20(8-6-14-29-23)31-24(34)30-18-10-12-19(13-11-18)36-25(26,27)28/h4-15H,3H2,1-2H3,(H2,30,31,34)
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70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373323
PNG
(CHEMBL255306)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)
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90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373308
PNG
(CHEMBL256776)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H27ClN4O2/c1-18-17-25(32(31-18)23-11-7-5-9-21(23)28)34-24-12-8-6-10-22(24)30-26(33)29-20-15-13-19(14-16-20)27(2,3)4/h5-17H,1-4H3,(H2,29,30,33)
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373322
PNG
(CHEMBL255094)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H18ClF3N4O3/c1-15-13-22(32(31-15)18-6-4-5-16(25)14-18)34-21-8-3-2-7-20(21)30-23(33)29-17-9-11-19(12-10-17)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373306
PNG
(CHEMBL256089)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CC2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C26H23ClN4O2/c1-17-16-25(31(30-17)23-8-4-2-6-21(23)27)33-24-9-5-3-7-22(24)29-26(32)28-20-14-12-19(13-15-20)18-10-11-18/h2-9,12-16,18H,10-11H2,1H3,(H2,28,29,32)
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120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373320
PNG
(CHEMBL403879)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H18F6N4O3/c1-15-14-22(35(34-15)20-8-4-2-6-18(20)24(26,27)28)37-21-9-5-3-7-19(21)33-23(36)32-16-10-12-17(13-11-16)38-25(29,30)31/h2-14H,1H3,(H2,32,33,36)
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130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373310
PNG
(CHEMBL402563)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClN4O2/c1-3-18-8-4-6-10-22(18)30-24(16-17(2)29-30)32-23-11-7-5-9-21(23)28-25(31)27-20-14-12-19(26)13-15-20/h4-16H,3H2,1-2H3,(H2,27,28,31)
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130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373292
PNG
(CHEMBL255308)
Show SMILES Cc1cc(Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClF3N5O3/c1-14-13-20(32(31-14)19-7-3-2-5-17(19)24)34-21-18(6-4-12-28-21)30-22(33)29-15-8-10-16(11-9-15)35-23(25,26)27/h2-13H,1H3,(H2,29,30,33)
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140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373319
PNG
(CHEMBL255728)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1C
Show InChI InChI=1S/C25H21F3N4O3/c1-16-7-3-5-9-21(16)32-23(15-17(2)31-32)34-22-10-6-4-8-20(22)30-24(33)29-18-11-13-19(14-12-18)35-25(26,27)28/h3-15H,1-2H3,(H2,29,30,33)
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150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373311
PNG
(CHEMBL255310)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H28N4O3/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)38-29-16-10-8-14-27(29)33-31(36)32-24-17-19-26(20-18-24)37-25-12-5-4-6-13-25/h4-21H,3H2,1-2H3,(H2,32,33,36)
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373312
PNG
(CHEMBL404869)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C28H30N4O3/c1-5-21-10-6-8-12-25(21)32-27(18-20(4)31-32)35-26-13-9-7-11-24(26)30-28(33)29-22-14-16-23(17-15-22)34-19(2)3/h6-19H,5H2,1-4H3,(H2,29,30,33)
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373329
PNG
(CHEMBL255726)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C24H18F4N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373321
PNG
(CHEMBL257560)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)18-10-6-16(25)7-11-18)34-21-5-3-2-4-20(21)30-23(33)29-17-8-12-19(13-9-17)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373317
PNG
(CHEMBL257378)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2Oc2ccnn2-c2ccccc2)cc1
Show InChI InChI=1S/C23H17F3N4O3/c24-23(25,26)33-18-12-10-16(11-13-18)28-22(31)29-19-8-4-5-9-20(19)32-21-14-15-27-30(21)17-6-2-1-3-7-17/h1-15H,(H2,28,29,31)
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270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373288
PNG
(CHEMBL403555)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C24H19F3N4O3/c1-16-15-22(31(30-16)18-7-3-2-4-8-18)33-21-10-6-5-9-20(21)29-23(32)28-17-11-13-19(14-12-17)34-24(25,26)27/h2-15H,1H3,(H2,28,29,32)
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290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373313
PNG
(CHEMBL401657)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C26H26N4O3/c1-4-19-9-5-7-11-23(19)30-25(17-18(2)29-30)33-24-12-8-6-10-22(24)28-26(31)27-20-13-15-21(32-3)16-14-20/h5-17H,4H2,1-3H3,(H2,27,28,31)
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560n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373327
PNG
(CHEMBL402597)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-3-19-11-7-9-15-22(19)29-24(17-18(2)28-29)31-23-16-10-8-14-21(23)27-25(30)26-20-12-5-4-6-13-20/h4-17H,3H2,1-2H3,(H2,26,27,30)
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700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373302
PNG
(CHEMBL255447)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCOCC2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C28H27ClN4O3/c1-19-18-27(33(32-19)25-8-4-2-6-23(25)29)36-26-9-5-3-7-24(26)31-28(34)30-22-12-10-20(11-13-22)21-14-16-35-17-15-21/h2-13,18,21H,14-17H2,1H3,(H2,30,31,34)
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760n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373318
PNG
(CHEMBL255727)
Show SMILES COc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H21F3N4O4/c1-16-15-23(32(31-16)20-8-4-6-10-22(20)34-2)35-21-9-5-3-7-19(21)30-24(33)29-17-11-13-18(14-12-17)36-25(26,27)28/h3-15H,1-2H3,(H2,29,30,33)
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960n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373299
PNG
(CHEMBL258235)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)-c2cnco2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C26H20ClN5O3/c1-17-14-25(32(31-17)22-8-4-2-6-20(22)27)35-23-9-5-3-7-21(23)30-26(33)29-19-12-10-18(11-13-19)24-15-28-16-34-24/h2-16H,1H3,(H2,29,30,33)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373325
PNG
(CHEMBL258407)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C19H13Cl3N2O2/c20-12-6-9-17(18(10-12)26-14-4-2-1-3-5-14)24-19(25)23-13-7-8-15(21)16(22)11-13/h1-11H,(H2,23,24,25)
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373309
PNG
(CHEMBL430029)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H19FN4O2/c1-16-15-22(28(27-16)19-7-3-2-4-8-19)30-21-10-6-5-9-20(21)26-23(29)25-18-13-11-17(24)12-14-18/h2-15H,1H3,(H2,25,26,29)
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2.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373332
PNG
(CHEMBL255505)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C13H8Cl4N2O/c14-7-3-8(15)5-10(4-7)19-13(20)18-9-1-2-11(16)12(17)6-9/h1-6H,(H2,18,19,20)
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4.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373290
PNG
(CHEMBL255093)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(cn1)C(C)C
Show InChI InChI=1S/C27H29N5O2/c1-5-20-10-6-8-12-23(20)32-26(16-19(4)31-32)34-24-13-9-7-11-22(24)29-27(33)30-25-15-14-21(17-28-25)18(2)3/h6-18H,5H2,1-4H3,(H2,28,29,30,33)
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5.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373315
PNG
(CHEMBL255278)
Show SMILES COC(=O)c1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)n(n1)-c1ccccc1
Show InChI InChI=1S/C28H28N4O4/c1-28(2,3)19-14-16-20(17-15-19)29-27(34)30-22-12-8-9-13-24(22)36-25-18-23(26(33)35-4)31-32(25)21-10-6-5-7-11-21/h5-18H,1-4H3,(H2,29,30,34)
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7.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373289
PNG
(CHEMBL403824)
Show SMILES CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O2/c1-3-17-8-4-6-10-20(17)33-23(14-16(2)32-33)35-21-11-7-5-9-19(21)31-24(34)30-18-12-13-22(29-15-18)25(26,27)28/h4-15H,3H2,1-2H3,(H2,30,31,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373297
PNG
(CHEMBL255454)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)C(O)=O)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H25ClN4O4/c1-17-16-24(32(31-17)22-10-6-4-8-20(22)28)36-23-11-7-5-9-21(23)30-26(35)29-19-14-12-18(13-15-19)27(2,3)25(33)34/h4-16H,1-3H3,(H,33,34)(H2,29,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373296
PNG
(CHEMBL255455)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)CO)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H27ClN4O3/c1-18-16-25(32(31-18)23-10-6-4-8-21(23)28)35-24-11-7-5-9-22(24)30-26(34)29-20-14-12-19(13-15-20)27(2,3)17-33/h4-16,33H,17H2,1-3H3,(H2,29,30,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373295
PNG
(CHEMBL402793)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1cccnc1
Show InChI InChI=1S/C23H18F3N5O3/c1-15-13-21(31(30-15)17-5-4-12-27-14-17)33-20-7-3-2-6-19(20)29-22(32)28-16-8-10-18(11-9-16)34-23(24,25)26/h2-14H,1H3,(H2,28,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373298
PNG
(CHEMBL258234)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)-n2cncn2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H20ClN7O2/c1-17-14-24(33(31-17)22-8-4-2-6-20(22)26)35-23-9-5-3-7-21(23)30-25(34)29-18-10-12-19(13-11-18)32-16-27-15-28-32/h2-16H,1H3,(H2,29,30,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373294
PNG
(CHEMBL255506)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccn1
Show InChI InChI=1S/C23H18F3N5O3/c1-15-14-21(31(30-15)20-8-4-5-13-27-20)33-19-7-3-2-6-18(19)29-22(32)28-16-9-11-17(12-10-16)34-23(24,25)26/h2-14H,1H3,(H2,28,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373291
PNG
(CHEMBL255252)
Show SMILES Cc1cc(Oc2ccncc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H18F3N5O3/c1-15-13-21(31(30-15)17-5-3-2-4-6-17)33-20-11-12-27-14-19(20)29-22(32)28-16-7-9-18(10-8-16)34-23(24,25)26/h2-14H,1H3,(H2,28,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373314
PNG
(CHEMBL258429)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Oc2cc(nn2-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H26N4O4/c1-27(2,3)18-13-15-19(16-14-18)28-26(34)29-21-11-7-8-12-23(21)35-24-17-22(25(32)33)30-31(24)20-9-5-4-6-10-20/h4-17H,1-3H3,(H,32,33)(H2,28,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373316
PNG
(CHEMBL428431)
Show SMILES CC(C)c1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23F3N4O3/c1-17(2)22-16-24(33(32-22)19-8-4-3-5-9-19)35-23-11-7-6-10-21(23)31-25(34)30-18-12-14-20(15-13-18)36-26(27,28)29/h3-17H,1-2H3,(H2,30,31,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373300
PNG
(CHEMBL256943)
Show SMILES CN1CCC(CC1)c1ccc(NC(=O)Nc2ccccc2Oc2cc(C)nn2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C29H30ClN5O2/c1-20-19-28(35(33-20)26-9-5-3-7-24(26)30)37-27-10-6-4-8-25(27)32-29(36)31-23-13-11-21(12-14-23)22-15-17-34(2)18-16-22/h3-14,19,22H,15-18H2,1-2H3,(H2,31,32,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373301
PNG
(CHEMBL256944)
Show SMILES Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(cc2)C2CCS(=O)(=O)CC2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C28H27ClN4O4S/c1-19-18-27(33(32-19)25-8-4-2-6-23(25)29)37-26-9-5-3-7-24(26)31-28(34)30-22-12-10-20(11-13-22)21-14-16-38(35,36)17-15-21/h2-13,18,21H,14-17H2,1H3,(H2,30,31,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373328
PNG
(CHEMBL257136)
Show SMILES CCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3/c1-2-17-16-23(32(31-17)19-8-4-3-5-9-19)34-22-11-7-6-10-21(22)30-24(33)29-18-12-14-20(15-13-18)35-25(26,27)28/h3-16H,2H2,1H3,(H2,29,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.028
BindingDB Entry DOI: 10.7270/Q2X34Z95
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342885
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 0.877n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342887
PNG
((1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19+,20-,21-/m0/s1
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n/an/a 0.882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50308469
PNG
((2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO6/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs


Bioorg Med Chem Lett 20: 1569-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.075
BindingDB Entry DOI: 10.7270/Q2DF6RBP
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342889
PNG
((1S,2S,3S,4R,5S)-1-(Hydroxymethyl)-5-[3-(4-methoxy...)
Show SMILES COc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C22H26O7/c1-13-3-6-16(10-15(13)9-14-4-7-17(27-2)8-5-14)22-20(26)18(24)19(25)21(11-23,29-22)12-28-22/h3-8,10,18-20,23-26H,9,11-12H2,1-2H3/t18-,19-,20+,21-,22-/m0/s1
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n/an/a 1.07n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
Low affinity sodium-glucose cotransporter


(Homo sapiens (Human))
BDBM50342888
PNG
((1S,2S,3S,4R,5S)-5-[3-(4-Ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1 |r|
Show InChI InChI=1S/C23H28O7/c1-3-28-18-8-5-15(6-9-18)10-16-11-17(7-4-14(16)2)23-21(27)19(25)20(26)22(12-24,30-23)13-29-23/h4-9,11,19-21,24-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m0/s1
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n/an/a 1.11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr


J Med Chem 54: 2952-60 (2011)


Article DOI: 10.1021/jm200049r
BindingDB Entry DOI: 10.7270/Q2NZ880H
More data for this
Ligand-Target Pair
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