Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043168   

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))	BDBM50436963 (CHEMBL2402255) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C18H18ClN5O5S2/c1-3-29-17(25)13-6-11(7-20)16(21-10(13)2)24-8-12(9-24)22-18(26)23-31(27,28)15-5-4-14(19)30-15/h4-6,12H,3,8-9H2,1-2H3,(H2,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436962 (CHEMBL2402264) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(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	34	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436958 (CHEMBL2402144) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1C)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(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	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436957 (CHEMBL2402244) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C19H17ClF3N5O5S2/c1-2-33-17(29)12-9-11(10-24)16(25-15(12)19(21,22)23)27-5-7-28(8-6-27)18(30)26-35(31,32)14-4-3-13(20)34-14/h3-4,9H,2,5-8H2,1H3,(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	39	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436961 (CHEMBL2402266) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O5S/c1-3-32-21(28)19-13-18(14-23)20(24-16(19)2)26-9-11-27(12-10-26)22(29)25-33(30,31)15-17-7-5-4-6-8-17/h4-8,13H,3,9-12,15H2,1-2H3,(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	54	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436960 (CHEMBL2402260) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436953 (CHEMBL2402258) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O5S/c1-3-31-19(27)17-8-13(9-22)18(23-12(17)2)26-10-15(11-26)24-20(28)25-32(29,30)16-6-4-14(21)5-7-16/h4-8,15H,3,10-11H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436949 (CHEMBL2402259) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C21H23N5O5S/c1-3-31-20(27)18-9-16(10-22)19(23-14(18)2)26-11-17(12-26)24-21(28)25-32(29,30)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436954 (CHEMBL2402248) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H22F3N5O5S/c1-3-35-20(31)17-12-15(13-26)19(27-18(17)22(23,24)25)29-8-10-30(11-9-29)21(32)28-36(33,34)16-6-4-14(2)5-7-16/h4-7,12H,3,8-11H2,1-2H3,(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	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436934 (CHEMBL2402249) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O5S/c1-2-35-19(31)16-11-13(12-26)18(27-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)28-36(33,34)15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(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	97	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436955 (CHEMBL2402251) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C17H18Cl2N4O5S2/c1-2-28-16(24)11-9-12(18)15(20-10-11)22-5-7-23(8-6-22)17(25)21-30(26,27)14-4-3-13(19)29-14/h3-4,9-10H,2,5-8H2,1H3,(H,21,25)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436952 (CHEMBL2402142) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(C(CCC(O)=O)C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C22H21ClF3N5O7S2/c1-2-38-20(34)14-9-12(10-27)19(28-18(14)22(24,25)26)30-7-8-31(13(11-30)3-5-16(32)33)21(35)29-40(36,37)17-6-4-15(23)39-17/h4,6,9,13H,2-3,5,7-8,11H2,1H3,(H,29,35)(H,32,33)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436971 (CHEMBL2402151) Show SMILES CC(C)CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C20H24Cl2N4O5S2/c1-13(2)5-10-31-19(27)14-11-15(21)18(23-12-14)25-6-8-26(9-7-25)20(28)24-33(29,30)17-4-3-16(22)32-17/h3-4,11-13H,5-10H2,1-2H3,(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	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436972 (CHEMBL2402265) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H23N5O5S/c1-3-31-20(27)18-13-16(14-22)19(23-15(18)2)25-9-11-26(12-10-25)21(28)24-32(29,30)17-7-5-4-6-8-17/h4-8,13H,3,9-12H2,1-2H3,(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	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436951 (CHEMBL2402149) Show SMILES CCCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C19H22Cl2N4O5S2/c1-2-3-10-30-18(26)13-11-14(20)17(22-12-13)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(21)31-16/h4-5,11-12H,2-3,6-10H2,1H3,(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	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436956 (CHEMBL2402263) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H27N5O5S/c1-3-33-22(29)20-13-18(14-24)21(25-16(20)2)28-11-9-19(10-12-28)26-23(30)27-34(31,32)15-17-7-5-4-6-8-17/h4-8,13,19H,3,9-12,15H2,1-2H3,(H2,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436959 (CHEMBL2402257) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)NC(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H21N5O5S/c1-3-30-19(26)17-9-14(10-21)18(22-13(17)2)25-11-15(12-25)23-20(27)24-31(28,29)16-7-5-4-6-8-16/h4-9,15H,3,11-12H2,1-2H3,(H2,23,24,27)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436969 (CHEMBL2402250) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H19F4N5O5S/c1-2-35-19(31)16-11-13(12-26)18(27-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)28-36(33,34)15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(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	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436931 (CHEMBL2402267) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O5S/c1-2-29-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-30(27,28)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436970 (CHEMBL2402245) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20F3N5O5S/c1-2-34-19(30)16-12-14(13-25)18(26-17(16)21(22,23)24)28-8-10-29(11-9-28)20(31)27-35(32,33)15-6-4-3-5-7-15/h3-7,12H,2,8-11H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436940 (CHEMBL2402143) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCCN(CC1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-11-14(12-22)18(23-13(15)2)25-7-4-8-26(10-9-25)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,11H,3-4,7-10H2,1-2H3,(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	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436968 (CHEMBL2402148) Show SMILES CCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-2-9-29-17(25)12-10-13(19)16(21-11-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,10-11H,2,5-9H2,1H3,(H,22,26)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436967 (CHEMBL2402272) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O5S/c1-3-30-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-31(28,29)17-7-5-4-6-14(17)2/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	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436966 (CHEMBL2402262) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN5O5S/c1-3-33-21(29)19-12-15(13-24)20(25-14(19)2)28-10-8-17(9-11-28)26-22(30)27-34(31,32)18-6-4-16(23)5-7-18/h4-7,12,17H,3,8-11H2,1-2H3,(H2,26,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436965 (CHEMBL2402273) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O5S/c1-3-30-19(26)15-12-17(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-31(28,29)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	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436964 (CHEMBL2402246) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C22H22F3N5O5S/c1-3-35-20(31)16-12-15(13-26)19(27-18(16)22(23,24)25)29-8-10-30(11-9-29)21(32)28-36(33,34)17-7-5-4-6-14(17)2/h4-7,12H,3,8-11H2,1-2H3,(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	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436943 (CHEMBL2402253) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O5S/c1-2-30-18(26)13-11-16(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)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	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436950 (CHEMBL2402256) Show SMILES CCOC(=O)c1cnc(N2CC(C2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H19ClN4O5S/c1-2-28-17(24)12-8-15(19)16(20-9-12)23-10-13(11-23)21-18(25)22-29(26,27)14-6-4-3-5-7-14/h3-9,13H,2,10-11H2,1H3,(H2,21,22,25)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436936 (CHEMBL2402247) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C21H19ClF3N5O5S/c1-2-35-19(31)14-11-13(12-26)18(27-17(14)21(23,24)25)29-7-9-30(10-8-29)20(32)28-36(33,34)16-6-4-3-5-15(16)22/h3-6,11H,2,7-10H2,1H3,(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	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436944 (CHEMBL2402254) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C19H20ClFN4O5S/c1-2-30-18(26)13-11-16(20)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)15-5-3-14(21)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	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436929 (CHEMBL2402156) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCCc1cccs1 Show InChI InChI=1S/C21H22F3N5O3S/c1-2-32-19(30)16-12-14(13-25)18(27-17(16)21(22,23)24)28-7-9-29(10-8-28)20(31)26-6-5-15-4-3-11-33-15/h3-4,11-12H,2,5-10H2,1H3,(H,26,31)	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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436942 (CHEMBL2402150) Show SMILES CC(C)OC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-11(2)29-17(25)12-9-13(19)16(21-10-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436941 (CHEMBL2402146) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC2CN(CC2C1)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H25N5O5S/c1-3-33-22(29)20-9-16(10-24)21(25-15(20)2)27-11-17-13-28(14-18(17)12-27)23(30)26-34(31,32)19-7-5-4-6-8-19/h4-9,17-18H,3,11-14H2,1-2H3,(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	580	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					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 Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436935 (CHEMBL2402145) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1C[C@@H]2C[C@H]1CN2C(=O)NS(=O)(=O)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C20H20ClN5O5S2/c1-3-31-19(27)15-6-12(8-22)18(23-11(15)2)25-9-14-7-13(25)10-26(14)20(28)24-33(29,30)17-5-4-16(21)32-17/h4-6,13-14H,3,7,9-10H2,1-2H3,(H,24,28)/t13-,14-/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	690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436933 (CHEMBL2402152) Show SMILES CCCC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O4S2/c1-2-3-14(25)12-10-13(19)17(21-11-12)23-6-8-24(9-7-23)18(26)22-30(27,28)16-5-4-15(20)29-16/h4-5,10-11H,2-3,6-9H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436930 (CHEMBL2402252) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4O5S/c1-2-30-18(26)13-11-15(21)17(22-12-13)24-7-9-25(10-8-24)19(27)23-31(28,29)16-6-4-3-5-14(16)20/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	990	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436932 (CHEMBL2402271) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=S)NC(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H21ClN4O3S/c1-2-28-19(27)15-12-16(21)17(22-13-15)24-8-10-25(11-9-24)20(29)23-18(26)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436928 (CHEMBL2402153) Show SMILES Clc1ccc(s1)S(=O)(=O)NC(=O)N1CCN(CC1)c1ncc(cc1Cl)C(=O)C1CC1 Show InChI InChI=1S/C18H18Cl2N4O4S2/c19-13-9-12(16(25)11-1-2-11)10-21-17(13)23-5-7-24(8-6-23)18(26)22-30(27,28)15-4-3-14(20)29-15/h3-4,9-11H,1-2,5-8H2,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436948 (CHEMBL2402243) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)N=C(C)c2ccccc2)c(Cl)c1 |w:17.17| Show InChI InChI=1S/C21H23ClN4O3/c1-3-29-20(27)17-13-18(22)19(23-14-17)25-9-11-26(12-10-25)21(28)24-15(2)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345289 (CHEMBL1782536 | Ethyl 6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O3/c1-2-27-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436938 (CHEMBL2402155) Show SMILES CCOC(=O)c1ccc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O5S2/c1-2-28-17(24)12-3-4-14(13(19)11-12)22-7-9-23(10-8-22)18(25)21-30(26,27)16-6-5-15(20)29-16/h3-6,11H,2,7-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436937 (CHEMBL2402268) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2CCC(O)=O)C(=O)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C22H25ClN4O5/c1-2-32-21(30)15-12-18(23)20(24-13-15)27-11-10-26(14-17(27)8-9-19(28)29)22(31)25-16-6-4-3-5-7-16/h3-7,12-13,17H,2,8-11,14H2,1H3,(H,25,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345288 (CHEMBL1782535 | Ethyl-6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)C#N Show InChI InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345315 (CHEMBL1784201 | Ethyl 5-chloro-6-(4-{[(2-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-17-7-5-4-6-14(17)2/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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436939 (CHEMBL2402147) Show SMILES COC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C16H16Cl2N4O5S2/c1-27-15(23)10-8-11(17)14(19-9-10)21-4-6-22(7-5-21)16(24)20-29(25,26)13-3-2-12(18)28-13/h2-3,8-9H,4-7H2,1H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436947 (CHEMBL2402261) Show SMILES CCOC(=O)c1cnc(N2CCC(CC2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O5S/c1-2-30-19(26)14-12-17(21)18(22-13-14)25-10-8-15(9-11-25)23-20(27)24-31(28,29)16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11H2,1H3,(H2,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50436945 (CHEMBL2402269) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=S)Nc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O2S/c1-2-26-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(27)22-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair

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