Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50027410   

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 1 (Homo sapiens (Human))	BDBM50245983 ((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246518 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245937 ((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r| Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245772 ((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245982 ((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245835 ((2R,3S,4S)-N-(3-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245934 ((2R,3S,4S)-N-(4-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-9-5-4-6-10-19)21-11-7-8-12-23(21)29(22)25(30)28-20-15-13-18(26)14-16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246516 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246517 ((4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(ph...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245981 ((2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamin...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246468 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245935 ((2R,3S,4S)-2-ethyl-N-(3-methoxyphenyl)-3-methyl-4-...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(OC)c1 |r| Show InChI InChI=1S/C26H29N3O2/c1-4-23-18(2)25(27-19-11-6-5-7-12-19)22-15-8-9-16-24(22)29(23)26(30)28-20-13-10-14-21(17-20)31-3/h5-18,23,25,27H,4H2,1-3H3,(H,28,30)/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245984 (CHEMBL516508 | cis-(2(R)-ethyl-4-(phenylamino)-3,4...) Show SMILES CC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H26N2O2/c1-3-20-17-23(26-19-9-5-4-6-10-19)22-11-7-8-12-24(22)27(20)25(28)18-13-15-21(29-2)16-14-18/h4-16,20,23,26H,3,17H2,1-2H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245983 ((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1	PDB UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246516 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245982 ((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245772 ((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246518 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245937 ((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r| Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245835 ((2R,3S,4S)-N-(3-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246517 ((4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(ph...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245981 ((2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamin...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245935 ((2R,3S,4S)-2-ethyl-N-(3-methoxyphenyl)-3-methyl-4-...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(OC)c1 |r| Show InChI InChI=1S/C26H29N3O2/c1-4-23-18(2)25(27-19-11-6-5-7-12-19)22-15-8-9-16-24(22)29(23)26(30)28-20-13-10-14-21(17-20)31-3/h5-18,23,25,27H,4H2,1-3H3,(H,28,30)/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246468 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245934 ((2R,3S,4S)-N-(4-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-9-5-4-6-10-19)21-11-7-8-12-23(21)29(22)25(30)28-20-15-13-18(26)14-16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245984 (CHEMBL516508 | cis-(2(R)-ethyl-4-(phenylamino)-3,4...) Show SMILES CC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H26N2O2/c1-3-20-17-23(26-19-9-5-4-6-10-19)22-11-7-8-12-24(22)27(20)25(28)18-13-15-21(29-2)16-14-18/h4-16,20,23,26H,3,17H2,1-2H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245936 ((2R,3S,4S)-2-ethyl-N-(4-methoxyphenyl)-3-methyl-4-...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-4-23-18(2)25(27-19-10-6-5-7-11-19)22-12-8-9-13-24(22)29(23)26(30)28-20-14-16-21(31-3)17-15-20/h5-18,23,25,27H,4H2,1-3H3,(H,28,30)/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246030 ((4-methoxyphenyl)((3R,4S)-3-methyl-4-(phenylamino)...) Show SMILES COc1ccc(cc1)C(=O)N1C[C@@H](C)[C@H](Nc2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C24H24N2O2/c1-17-16-26(24(27)18-12-14-20(28-2)15-13-18)22-11-7-6-10-21(22)23(17)25-19-8-4-3-5-9-19/h3-15,17,23,25H,16H2,1-2H3/t17-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246031 ((S)-(4-methoxyphenyl)(4-(phenylamino)-3,4-dihydroq...) Show SMILES COc1ccc(cc1)C(=O)N1CC[C@H](Nc2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C23H22N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-16-15-21(20-9-5-6-10-22(20)25)24-18-7-3-2-4-8-18/h2-14,21,24H,15-16H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245774 (((2R,3R,4S)-2-ethyl-3-methyl-4-(methyl(phenyl)amin...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](N(C)c2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H30N2O2/c1-5-24-19(2)26(28(3)21-11-7-6-8-12-21)23-13-9-10-14-25(23)29(24)27(30)20-15-17-22(31-4)18-16-20/h6-19,24,26H,5H2,1-4H3/t19-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245773 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O/c1-3-22-18(2)24(26-20-14-8-5-9-15-20)21-16-10-11-17-23(21)27(22)25(28)19-12-6-4-7-13-19/h4-18,22,24,26H,3H2,1-2H3/t18-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246515 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-11-5-4-6-12-19)21-14-7-8-15-23(21)31(22)25(32)18-10-9-13-20(16-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245775 ((2R,3S,4S)-N-(2-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1Cl |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-18-11-5-4-6-12-18)19-13-7-10-16-23(19)29(22)25(30)28-21-15-9-8-14-20(21)26/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246032 ((2S,3R,4R)-N-(3,5-dichlorophenyl)-2-ethyl-3-methyl...) Show SMILES CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246029 (CHEMBL473095 | trans-((2(R)-ethyl-4-(phenylamino)-...) Show SMILES CC[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H26N2O2/c1-3-20-17-23(26-19-9-5-4-6-10-19)22-11-7-8-12-24(22)27(20)25(28)18-13-15-21(29-2)16-14-18/h4-16,20,23,26H,3,17H2,1-2H3/t20-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair