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PubMed code 8336341

Compile data set for download or QSAR
Found 42 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 12


(Homo sapiens (Human))		BDBM50044210
PNG
(7-[2-(4-methylpiperazin-1-yl)ethoxy]-8-methyl-2-mo...)
Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2C)CC1
Show InChI InChI=1S/C21H29N3O4/c1-16-19(27-14-9-23-7-5-22(2)6-8-23)4-3-17-18(25)15-20(28-21(16)17)24-10-12-26-13-11-24/h3-4,15H,5-14H2,1-2H3
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n/an/a 850n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044219
PNG
(6,8-Dimethyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy...)
Show SMILES CN1CCN(CCOc2c(C)cc3c(oc(cc3=O)N3CCOCC3)c2C)CC1
Show InChI InChI=1S/C22H31N3O4/c1-16-14-18-19(26)15-20(25-9-11-27-12-10-25)29-22(18)17(2)21(16)28-13-8-24-6-4-23(3)5-7-24/h14-15H,4-13H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044221
PNG
(7-(1-tert-Butyl-1H-tetrazol-5-ylmethoxy)-8-methyl-...)
Show SMILES Cc1c(OCc2nnnn2C(C)(C)C)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H25N5O4/c1-13-16(28-12-17-21-22-23-25(17)20(2,3)4)6-5-14-15(26)11-18(29-19(13)14)24-7-9-27-10-8-24/h5-6,11H,7-10,12H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044183
PNG
(7-(2-Diethylamino-ethoxy)-8-methyl-2-morpholin-4-y...)
Show SMILES CCN(CC)CCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C20H28N2O4/c1-4-21(5-2)8-13-25-18-7-6-16-17(23)14-19(26-20(16)15(18)3)22-9-11-24-12-10-22/h6-7,14H,4-5,8-13H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044209
PNG
(8-Methyl-7-(1-methyl-1H-tetrazol-5-ylmethoxy)-2-mo...)
Show SMILES Cc1c(OCc2nnnn2C)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H19N5O4/c1-11-14(25-10-15-18-19-20-21(15)2)4-3-12-13(23)9-16(26-17(11)12)22-5-7-24-8-6-22/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044204
PNG
(7-(2-Azepan-1-yl-ethoxy)-8-methyl-2-morpholin-4-yl...)
Show SMILES Cc1c(OCCN2CCCCCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H30N2O4/c1-17-20(27-15-10-23-8-4-2-3-5-9-23)7-6-18-19(25)16-21(28-22(17)18)24-11-13-26-14-12-24/h6-7,16H,2-5,8-15H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044194
PNG
(7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin...)
Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2C=C)CC1
Show InChI InChI=1S/C22H29N3O4/c1-3-17-20(28-15-10-24-8-6-23(2)7-9-24)5-4-18-19(26)16-21(29-22(17)18)25-11-13-27-14-12-25/h3-5,16H,1,6-15H2,2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044216
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-morpholin-4-yl-etho...)
Show SMILES Cc1c(OCCN2CCOCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H26N2O5/c1-15-18(26-13-6-21-4-9-24-10-5-21)3-2-16-17(23)14-19(27-20(15)16)22-7-11-25-12-8-22/h2-3,14H,4-13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044215
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-pyrrolidin-1-yl-eth...)
Show SMILES Cc1c(OCCN2CCCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H26N2O4/c1-15-18(25-13-8-21-6-2-3-7-21)5-4-16-17(23)14-19(26-20(15)16)22-9-11-24-12-10-22/h4-5,14H,2-3,6-13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044208
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-piperazin-1-yl-etho...)
Show SMILES Cc1c(OCCN2CCNCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H27N3O4/c1-15-18(26-13-8-22-6-4-21-5-7-22)3-2-16-17(24)14-19(27-20(15)16)23-9-11-25-12-10-23/h2-3,14,21H,4-13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044188
PNG
(8-Methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)-...)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H20N2O4/c1-14-18(25-13-15-3-2-6-21-12-15)5-4-16-17(23)11-19(26-20(14)16)22-7-9-24-10-8-22/h2-6,11-12H,7-10,13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044213
PNG
(8-Ethyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy]-2-m...)
Show SMILES CCc1c(OCCN2CCN(C)CC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H31N3O4/c1-3-17-20(28-15-10-24-8-6-23(2)7-9-24)5-4-18-19(26)16-21(29-22(17)18)25-11-13-27-14-12-25/h4-5,16H,3,6-15H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044207
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-thiomorpholin-4-yl-...)
Show SMILES Cc1c(OCCN2CCSCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H26N2O4S/c1-15-18(25-11-4-21-7-12-27-13-8-21)3-2-16-17(23)14-19(26-20(15)16)22-5-9-24-10-6-22/h2-3,14H,4-13H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044192
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-piperidin-1-yl-etho...)
Show SMILES Cc1c(OCCN2CCCCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H28N2O4/c1-16-19(26-14-9-22-7-3-2-4-8-22)6-5-17-18(24)15-20(27-21(16)17)23-10-12-25-13-11-23/h5-6,15H,2-4,7-14H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044217
PNG
(7-(2-Methoxy-ethoxy)-8-methyl-2-morpholin-4-yl-chr...)
Show SMILES COCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C17H21NO5/c1-12-15(22-10-9-20-2)4-3-13-14(19)11-16(23-17(12)13)18-5-7-21-8-6-18/h3-4,11H,5-10H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044185
PNG
(8-Methyl-2-morpholin-4-yl-7-(1-phenyl-1H-tetrazol-...)
Show SMILES Cc1c(OCc2nnnn2-c2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H21N5O4/c1-15-19(30-14-20-23-24-25-27(20)16-5-3-2-4-6-16)8-7-17-18(28)13-21(31-22(15)17)26-9-11-29-12-10-26/h2-8,13H,9-12,14H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044200
PNG
(8-Allyl-7-[2-(4-methyl-piperazin-1-yl)-ethoxy]-2-m...)
Show SMILES CN1CCN(CCOc2ccc3c(oc(cc3=O)N3CCOCC3)c2CC=C)CC1
Show InChI InChI=1S/C23H31N3O4/c1-3-4-19-21(29-16-11-25-9-7-24(2)8-10-25)6-5-18-20(27)17-22(30-23(18)19)26-12-14-28-15-13-26/h3,5-6,17H,1,4,7-16H2,2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044186
PNG
((8-Methyl-2-morpholin-4-yl-4-oxo-4H-chromen-7-ylox...)
Show SMILES COC(=O)COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C17H19NO6/c1-11-14(23-10-16(20)21-2)4-3-12-13(19)9-15(24-17(11)12)18-5-7-22-8-6-18/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044193
PNG
(7-[2-(4-Benzyl-piperazin-1-yl)-ethoxy]-8-methyl-2-...)
Show SMILES Cc1c(OCCN2CCN(Cc3ccccc3)CC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C27H33N3O4/c1-21-25(8-7-23-24(31)19-26(34-27(21)23)30-14-16-32-17-15-30)33-18-13-28-9-11-29(12-10-28)20-22-5-3-2-4-6-22/h2-8,19H,9-18,20H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044218
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-oxo-propoxy)-chrome...)
Show SMILES CC(=O)COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C17H19NO5/c1-11(19)10-22-15-4-3-13-14(20)9-16(23-17(13)12(15)2)18-5-7-21-8-6-18/h3-4,9H,5-8,10H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044223
PNG
(7-{2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Cc1c(OCCN2CCN(CCO)CC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H31N3O5/c1-17-20(29-15-9-24-6-4-23(5-7-24)8-12-26)3-2-18-19(27)16-21(30-22(17)18)25-10-13-28-14-11-25/h2-3,16,26H,4-15H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044184
PNG
(7-(1-Cyclohexyl-1H-tetrazol-5-ylmethoxy)-8-methyl-...)
Show SMILES Cc1c(OCc2nnnn2C2CCCCC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H27N5O4/c1-15-19(30-14-20-23-24-25-27(20)16-5-3-2-4-6-16)8-7-17-18(28)13-21(31-22(15)17)26-9-11-29-12-10-26/h7-8,13,16H,2-6,9-12,14H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044189
PNG
(8-Methyl-2-morpholin-4-yl-7-(naphthalen-1-ylmethox...)
Show SMILES Cc1c(OCc2cccc3ccccc23)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C25H23NO4/c1-17-23(29-16-19-7-4-6-18-5-2-3-8-20(18)19)10-9-21-22(27)15-24(30-25(17)21)26-11-13-28-14-12-26/h2-10,15H,11-14,16H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044190
PNG
(8-Methyl-7-(2-methylsulfanyl-ethoxy)-2-morpholin-4...)
Show SMILES CSCCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C17H21NO4S/c1-12-15(21-9-10-23-2)4-3-13-14(19)11-16(22-17(12)13)18-5-7-20-8-6-18/h3-4,11H,5-10H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044214
PNG
(7-{2-[Ethyl-(2-hydroxy-ethyl)-amino]-ethoxy}-8-met...)
Show SMILES CCN(CCO)CCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C20H28N2O5/c1-3-21(6-10-23)7-13-26-18-5-4-16-17(24)14-19(27-20(16)15(18)2)22-8-11-25-12-9-22/h4-5,14,23H,3,6-13H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044206
PNG
(8-Methyl-2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-...)
Show SMILES Cc1c(OCc2ccccn2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H20N2O4/c1-14-18(25-13-15-4-2-3-7-21-15)6-5-16-17(23)12-19(26-20(14)16)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044224
PNG
(7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin...)
Show SMILES CN1CCN(CCOc2ccc3c(c2)oc(cc3=O)N2CCOCC2)CC1
Show InChI InChI=1S/C20H27N3O4/c1-21-4-6-22(7-5-21)8-13-26-16-2-3-17-18(24)15-20(27-19(17)14-16)23-9-11-25-12-10-23/h2-3,14-15H,4-13H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044197
PNG
(7-(benzyloxy)-8-methyl-2-morpholino-4H-chromen-4-o...)
Show SMILES Cc1c(OCc2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H21NO4/c1-15-19(25-14-16-5-3-2-4-6-16)8-7-17-18(23)13-20(26-21(15)17)22-9-11-24-12-10-22/h2-8,13H,9-12,14H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044220
PNG
(2-Morpholin-4-yl-7-(naphthalen-1-ylmethoxy)-chrome...)
Show SMILES O=c1cc(oc2cc(OCc3cccc4ccccc34)ccc12)N1CCOCC1
Show InChI InChI=1S/C24H21NO4/c26-22-15-24(25-10-12-27-13-11-25)29-23-14-19(8-9-21(22)23)28-16-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14-15H,10-13,16H2
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n/an/a 4.10E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044191
PNG
(7-Methoxy-8-methyl-2-morpholin-4-yl-chromen-4-one ...)
Show SMILES COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C15H17NO4/c1-10-13(18-2)4-3-11-12(17)9-14(20-15(10)11)16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044196
PNG
(8-Methyl-2-morpholin-4-yl-7-(2-oxo-2-phenyl-ethoxy...)
Show SMILES Cc1c(OCC(=O)c2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H21NO5/c1-15-20(27-14-19(25)16-5-3-2-4-6-16)8-7-17-18(24)13-21(28-22(15)17)23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044202
PNG
(7-[2-(Ethyl-phenyl-amino)-ethoxy]-8-methyl-2-morph...)
Show SMILES CCN(CCOc1ccc2c(oc(cc2=O)N2CCOCC2)c1C)c1ccccc1
Show InChI InChI=1S/C24H28N2O4/c1-3-25(19-7-5-4-6-8-19)13-16-29-22-10-9-20-21(27)17-23(30-24(20)18(22)2)26-11-14-28-15-12-26/h4-10,17H,3,11-16H2,1-2H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044199
PNG
(7-(2-Methoxy-benzyloxy)-8-methyl-2-morpholin-4-yl-...)
Show SMILES COc1ccccc1COc1ccc2c(oc(cc2=O)N2CCOCC2)c1C
Show InChI InChI=1S/C22H23NO5/c1-15-19(27-14-16-5-3-4-6-20(16)25-2)8-7-17-18(24)13-21(28-22(15)17)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044211
PNG
(7-(4-Methoxy-benzyloxy)-8-methyl-2-morpholin-4-yl-...)
Show SMILES COc1ccc(COc2ccc3c(oc(cc3=O)N3CCOCC3)c2C)cc1
Show InChI InChI=1S/C22H23NO5/c1-15-20(27-14-16-3-5-17(25-2)6-4-16)8-7-18-19(24)13-21(28-22(15)18)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044222
PNG
(2-Morpholin-4-yl-7-(pyridin-2-ylmethoxy)-chromen-4...)
Show SMILES O=c1cc(oc2cc(OCc3ccccn3)ccc12)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-17-12-19(21-7-9-23-10-8-21)25-18-11-15(4-5-16(17)18)24-13-14-3-1-2-6-20-14/h1-6,11-12H,7-10,13H2
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n/an/a 5.30E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044205
PNG
(7-Allyloxy-8-methyl-2-morpholin-4-yl-chromen-4-one...)
Show SMILES Cc1c(OCC=C)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H19NO4/c1-3-8-21-15-5-4-13-14(19)11-16(22-17(13)12(15)2)18-6-9-20-10-7-18/h3-5,11H,1,6-10H2,2H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044195
PNG
((3,8-Dimethyl-2-morpholin-4-yl-4-oxo-4H-chromen-7-...)
Show SMILES COC(=O)COc1ccc2c(oc(N3CCOCC3)c(C)c2=O)c1C
Show InChI InChI=1S/C18H21NO6/c1-11-14(24-10-15(20)22-3)5-4-13-16(21)12(2)18(25-17(11)13)19-6-8-23-9-7-19/h4-5H,6-10H2,1-3H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044198
PNG
(8-Methyl-2-morpholin-4-yl-7-(naphthalen-2-ylmethox...)
Show SMILES Cc1c(OCc2ccc3ccccc3c2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C25H23NO4/c1-17-23(29-16-18-6-7-19-4-2-3-5-20(19)14-18)9-8-21-22(27)15-24(30-25(17)21)26-10-12-28-13-11-26/h2-9,14-15H,10-13,16H2,1H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044201
PNG
(7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-2-morpholin...)
Show SMILES CCCc1c(OCCN2CCN(C)CC2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C23H33N3O4/c1-3-4-19-21(29-16-11-25-9-7-24(2)8-10-25)6-5-18-20(27)17-22(30-23(18)19)26-12-14-28-15-13-26/h5-6,17H,3-4,7-16H2,1-2H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044203
PNG
(3,8-Dimethyl-2-morpholin-4-yl-7-(naphthalen-1-ylme...)
Show SMILES Cc1c(OCc2cccc3ccccc23)ccc2c1oc(N1CCOCC1)c(C)c2=O
Show InChI InChI=1S/C26H25NO4/c1-17-23(30-16-20-8-5-7-19-6-3-4-9-21(19)20)11-10-22-24(28)18(2)26(31-25(17)22)27-12-14-29-15-13-27/h3-11H,12-16H2,1-2H3
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n/an/a>7.50E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044187
PNG
(7-Benzyloxy-3,8-dimethyl-2-morpholin-4-yl-chromen-...)
Show SMILES Cc1c(OCc2ccccc2)ccc2c1oc(N1CCOCC1)c(C)c2=O
Show InChI InChI=1S/C22H23NO4/c1-15-19(26-14-17-6-4-3-5-7-17)9-8-18-20(24)16(2)22(27-21(15)18)23-10-12-25-13-11-23/h3-9H,10-14H2,1-2H3
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n/an/a>7.50E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50044212
PNG
(8-Methyl-2-morpholin-4-yl-7-[2-(4-phenyl-piperazin...)
Show SMILES Cc1c(OCCN2CCN(CC2)c2ccccc2)ccc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C26H31N3O4/c1-20-24(32-18-13-27-9-11-28(12-10-27)21-5-3-2-4-6-21)8-7-22-23(30)19-25(33-26(20)22)29-14-16-31-17-15-29/h2-8,19H,9-18H2,1H3
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n/an/a>7.50E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ADP-induced human platelet aggregation

J Med Chem 36: 2026-32 (1993)


BindingDB Entry DOI: 10.7270/Q2RF5T33
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%