Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 50033436   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345312 (CHEMBL1784198 | Ethyl 5-cyano-6-{4-[(2-naphthylami...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345326 (CHEMBL1784212 | Ethyl 5-chloro-6-{4-[(1-naphthylam...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-2-31-22(29)17-14-19(24)21(25-15-17)27-10-12-28(13-11-27)23(30)26-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345326 (CHEMBL1784212 | Ethyl 5-chloro-6-{4-[(1-naphthylam...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-2-31-22(29)17-14-19(24)21(25-15-17)27-10-12-28(13-11-27)23(30)26-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345265 (CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345318 (CHEMBL1784204 | Ethyl 5-chloro-6-(4-{[(3-chlorophe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O3/c1-2-28-18(26)13-10-16(21)17(22-12-13)24-6-8-25(9-7-24)19(27)23-15-5-3-4-14(20)11-15/h3-5,10-12H,2,6-9H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345266 (CHEMBL1784221 | Ethyl 5-cyano-6-(4-{[(4-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-16-6-4-15(2)5-7-16/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345303 (CHEMBL1784190 | Ethyl 5-cyano-6-(4-{[(3-methylphen...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1cccc(C)c1 Show InChI InChI=1S/C22H22F3N5O3/c1-3-33-20(31)17-12-15(13-26)19(28-18(17)22(23,24)25)29-7-9-30(10-8-29)21(32)27-16-6-4-5-14(2)11-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345311 (CHEMBL1784197 | Ethyl 5-cyano-6-(4-{[(3,4-dichloro...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H18Cl2F3N5O3/c1-2-34-19(32)14-9-12(11-27)18(29-17(14)21(24,25)26)30-5-7-31(8-6-30)20(33)28-13-3-4-15(22)16(23)10-13/h3-4,9-10H,2,5-8H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345312 (CHEMBL1784198 | Ethyl 5-cyano-6-{4-[(2-naphthylami...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345269 (CHEMBL1784224 | Ethyl 5-cyano-6-[4-({[(1S)-1-pheny...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-13-17(14-27)20(29-19(18)23(24,25)26)30-9-11-31(12-10-30)22(33)28-15(2)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,28,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345302 (CHEMBL1784189 | Ethyl 6-(4-{[(3-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-10-13(12-26)18(28-17(16)21(23,24)25)29-6-8-30(9-7-29)20(32)27-15-5-3-4-14(22)11-15/h3-5,10-11H,2,6-9H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345303 (CHEMBL1784190 | Ethyl 5-cyano-6-(4-{[(3-methylphen...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1cccc(C)c1 Show InChI InChI=1S/C22H22F3N5O3/c1-3-33-20(31)17-12-15(13-26)19(28-18(17)22(23,24)25)29-7-9-30(10-8-29)21(32)27-16-6-4-5-14(2)11-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345311 (CHEMBL1784197 | Ethyl 5-cyano-6-(4-{[(3,4-dichloro...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H18Cl2F3N5O3/c1-2-34-19(32)14-9-12(11-27)18(29-17(14)21(24,25)26)30-5-7-31(8-6-30)20(33)28-13-3-4-15(22)16(23)10-13/h3-4,9-10H,2,5-8H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345263 (CHEMBL1784218 | Ethyl 5-cyano-6-(4-{[(3-fluorobenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-6-8-31(9-7-30)21(33)28-13-14-4-3-5-16(23)10-14/h3-5,10-11H,2,6-9,13H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345319 (CHEMBL1784205 | Ethyl 5-chloro-6-(4-{[(3-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc(C)c2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-7-9-25(10-8-24)20(27)23-16-6-4-5-14(2)11-16/h4-6,11-13H,3,7-10H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345329 (CHEMBL1784215 | Ethyl 6-{4-[(benzylamino)carbonyl]...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H22F3N5O3/c1-2-33-20(31)17-12-16(13-26)19(28-18(17)22(23,24)25)29-8-10-30(11-9-29)21(32)27-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,14H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345268 (CHEMBL1784223 | Ethyl 5-cyano-6-(4-{[(3,4-dichloro...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H20Cl2F3N5O3/c1-2-35-20(33)15-10-14(11-28)19(30-18(15)22(25,26)27)31-5-7-32(8-6-31)21(34)29-12-13-3-4-16(23)17(24)9-13/h3-4,9-10H,2,5-8,12H2,1H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345318 (CHEMBL1784204 | Ethyl 5-chloro-6-(4-{[(3-chlorophe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O3/c1-2-28-18(26)13-10-16(21)17(22-12-13)24-6-8-25(9-7-24)19(27)23-15-5-3-4-14(20)11-15/h3-5,10-12H,2,6-9H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345306 (CHEMBL1784193 | Ethyl 6-(4-{[(4-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-11-13(12-26)18(28-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)27-15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345306 (CHEMBL1784193 | Ethyl 6-(4-{[(4-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-11-13(12-26)18(28-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)27-15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345305 (CHEMBL1784192 | Ethyl 5-cyano-6-(4-{[(3-methoxyphe...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1cccc(OC)c1 Show InChI InChI=1S/C22H22F3N5O4/c1-3-34-20(31)17-11-14(13-26)19(28-18(17)22(23,24)25)29-7-9-30(10-8-29)21(32)27-15-5-4-6-16(12-15)33-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345287 (CHEMBL1782534 | Ethyl 6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H20F3N5O3/c1-2-32-19(30)16-12-14(13-25)18(27-17(16)21(22,23)24)28-8-10-29(11-9-28)20(31)26-15-6-4-3-5-7-15/h3-7,12H,2,8-11H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345266 (CHEMBL1784221 | Ethyl 5-cyano-6-(4-{[(4-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-16-6-4-15(2)5-7-16/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345269 (CHEMBL1784224 | Ethyl 5-cyano-6-[4-({[(1S)-1-pheny...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-13-17(14-27)20(29-19(18)23(24,25)26)30-9-11-31(12-10-30)22(33)28-15(2)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,28,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345330 (CHEMBL1784216 | Ethyl 6-(4-{[(2-chlorobenzyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C22H21ClF3N5O3/c1-2-34-20(32)16-11-15(12-27)19(29-18(16)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-5-3-4-6-17(14)23/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345331 (CHEMBL1784217 | Ethyl 5-cyano-6-(4-{[(2-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1C Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-16-7-5-4-6-15(16)2/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345327 (CHEMBL1784213 | Ethyl 5-chloro-6-{4-[(2-naphthylam...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-2-31-22(29)18-14-20(24)21(25-15-18)27-9-11-28(12-10-27)23(30)26-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-15H,2,9-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345327 (CHEMBL1784213 | Ethyl 5-chloro-6-{4-[(2-naphthylam...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-2-31-22(29)18-14-20(24)21(25-15-18)27-9-11-28(12-10-27)23(30)26-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-15H,2,9-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345319 (CHEMBL1784205 | Ethyl 5-chloro-6-(4-{[(3-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2cccc(C)c2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-7-9-25(10-8-24)20(27)23-16-6-4-5-14(2)11-16/h4-6,11-13H,3,7-10H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345267 (CHEMBL1784222 | Ethyl 5-cyano-6-(4-{[(4-methoxyben...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C23H24F3N5O4/c1-3-35-21(32)18-12-16(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-15-4-6-17(34-2)7-5-15/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345278 (CHEMBL1784232 | Ethyl 5-chloro-6-(4-{[(3,4-dichlor...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NCc2ccc(Cl)c(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C20H21Cl3N4O3/c1-2-30-19(28)14-10-17(23)18(24-12-14)26-5-7-27(8-6-26)20(29)25-11-13-3-4-15(21)16(22)9-13/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345264 (CHEMBL1784219 | Ethyl 5-cyano-6-(4-{[(3-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1cccc(C)c1 Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-7-9-31(10-8-30)22(33)28-14-16-6-4-5-15(2)11-16/h4-6,11-12H,3,7-10,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345276 (CHEMBL1784230 | Ethyl 5-chloro-6-(4-{[(4-methylben...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NCc2ccc(C)cc2)c(Cl)c1 Show InChI InChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-12-18(22)19(23-14-17)25-8-10-26(11-9-25)21(28)24-13-16-6-4-15(2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345265 (CHEMBL1784220 | Ethyl 5-cyano-6-(4-{[(4-fluorobenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C22H21F4N5O3/c1-2-34-20(32)17-11-15(12-27)19(29-18(17)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-3-5-16(23)6-4-14/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345268 (CHEMBL1784223 | Ethyl 5-cyano-6-(4-{[(3,4-dichloro...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H20Cl2F3N5O3/c1-2-35-20(33)15-10-14(11-28)19(30-18(15)22(25,26)27)31-5-7-32(8-6-31)21(34)29-12-13-3-4-16(23)17(24)9-13/h3-4,9-10H,2,5-8,12H2,1H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345270 (CHEMBL1784225 | Ethyl 5-cyano-6-[4-({[1-(3-isoprop...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NC(C)(C)c1cccc(c1)C(C)=C Show InChI InChI=1S/C27H30F3N5O3/c1-6-38-24(36)21-15-19(16-31)23(32-22(21)27(28,29)30)34-10-12-35(13-11-34)25(37)33-26(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-15H,2,6,10-13H2,1,3-5H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345302 (CHEMBL1784189 | Ethyl 6-(4-{[(3-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-10-13(12-26)18(28-17(16)21(23,24)25)29-6-8-30(9-7-29)20(32)27-15-5-3-4-14(22)11-15/h3-5,10-11H,2,6-9H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345330 (CHEMBL1784216 | Ethyl 6-(4-{[(2-chlorobenzyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C22H21ClF3N5O3/c1-2-34-20(32)16-11-15(12-27)19(29-18(16)22(24,25)26)30-7-9-31(10-8-30)21(33)28-13-14-5-3-4-6-17(14)23/h3-6,11H,2,7-10,13H2,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345331 (CHEMBL1784217 | Ethyl 5-cyano-6-(4-{[(2-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1C Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-16-7-5-4-6-15(16)2/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345280 (CHEMBL1784234 | Ethyl 5-chloro-6-[4-({[1-(3-isopro...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NC(C)(C)c2cccc(c2)C(C)=C)c(Cl)c1 Show InChI InChI=1S/C25H31ClN4O3/c1-6-33-23(31)19-15-21(26)22(27-16-19)29-10-12-30(13-11-29)24(32)28-25(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-16H,2,6,10-13H2,1,3-5H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345329 (CHEMBL1784215 | Ethyl 6-{4-[(benzylamino)carbonyl]...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H22F3N5O3/c1-2-33-20(31)17-12-16(13-26)19(28-18(17)22(23,24)25)29-8-10-30(11-9-29)21(32)27-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,14H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345270 (CHEMBL1784225 | Ethyl 5-cyano-6-[4-({[1-(3-isoprop...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NC(C)(C)c1cccc(c1)C(C)=C Show InChI InChI=1S/C27H30F3N5O3/c1-6-38-24(36)21-15-19(16-31)23(32-22(21)27(28,29)30)34-10-12-35(13-11-34)25(37)33-26(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-15H,2,6,10-13H2,1,3-5H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345322 (CHEMBL1784208 | Ethyl 5-chloro-6-(4-{[(4-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccc(C)cc2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-16-6-4-14(2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345321 (CHEMBL1784207 | Ethyl 5-chloro-6-(4-{[(4-chlorophe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O3/c1-2-28-18(26)13-11-16(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-15-5-3-14(20)4-6-15/h3-6,11-12H,2,7-10H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345280 (CHEMBL1784234 | Ethyl 5-chloro-6-[4-({[1-(3-isopro...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NC(C)(C)c2cccc(c2)C(C)=C)c(Cl)c1 Show InChI InChI=1S/C25H31ClN4O3/c1-6-33-23(31)19-15-21(26)22(27-16-19)29-10-12-30(13-11-29)24(32)28-25(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-16H,2,6,10-13H2,1,3-5H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345267 (CHEMBL1784222 | Ethyl 5-cyano-6-(4-{[(4-methoxyben...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C23H24F3N5O4/c1-3-35-21(32)18-12-16(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-15-4-6-17(34-2)7-5-15/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345287 (CHEMBL1782534 | Ethyl 6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H20F3N5O3/c1-2-32-19(30)16-12-14(13-25)18(27-17(16)21(22,23)24)28-8-10-29(11-9-28)20(31)26-15-6-4-3-5-7-15/h3-7,12H,2,8-11H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345272 (CHEMBL1784226 | Ethyl 5-chloro-6-(4-{[(2-methylben...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NCc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C21H25ClN4O3/c1-3-29-20(27)17-12-18(22)19(23-14-17)25-8-10-26(11-9-25)21(28)24-13-16-7-5-4-6-15(16)2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345264 (CHEMBL1784219 | Ethyl 5-cyano-6-(4-{[(3-methylbenz...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1cccc(C)c1 Show InChI InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-7-9-31(10-8-30)22(33)28-14-16-6-4-5-15(2)11-16/h4-6,11-12H,3,7-10,14H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345281 (CHEMBL1784235 | Ethyl 5-cyano-6-(4-((1R,2S)-2-phen...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C24H24F3N5O3/c1-2-35-22(33)18-12-16(14-28)21(30-20(18)24(25,26)27)31-8-10-32(11-9-31)23(34)29-19-13-17(19)15-6-4-3-5-7-15/h3-7,12,17,19H,2,8-11,13H2,1H3,(H,29,34)/t17-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 140 total )  |  Next  |  Last  >>

Jump to: