Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with all data for entry = 8381   

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))	BDBM245383 (US9428504, 133) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3cc(Cl)ccc3s2)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1 Show InChI InChI=1S/C38H36ClFN6O2S2/c1-37(2,3)20-45-16-14-38(15-17-45)21-46(33-29(47)12-10-24(32(33)38)34-41-27-18-22(39)8-13-30(27)49-34)28-7-5-4-6-25(28)42-35(48)44-36-43-26-11-9-23(40)19-31(26)50-36/h4-13,18-19,47H,14-17,20-21H2,1-3H3,(H2,42,43,44,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245297 (US9428504, 35) Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3F)n1 Show InChI InChI=1S/C29H37FN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	-49.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245282 (US9428504, 20) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C31H33F5N4O2/c1-29(2,3)17-39-14-12-30(13-15-39)18-40(27-25(41)11-9-20(26(27)30)31(34,35)36)24-7-5-4-6-23(24)38-28(42)37-22-10-8-19(32)16-21(22)33/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	-48.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245275 (US9428504, 13) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ncccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C34H42F3N5O2/c1-31(2,3)20-41-18-15-33(16-19-41)21-42(28-26(43)14-13-24(27(28)33)34(35,36)37)29-25(8-7-17-38-29)40-30(44)39-23-11-9-22(10-12-23)32(4,5)6/h7-14,17,43H,15-16,18-21H2,1-6H3,(H2,39,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245302 (US9428504, 42) Show SMILES Cc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1 Show InChI InChI=1S/C27H33ClN6O2S/c1-17-29-25(37-32-17)31-24(36)30-19-7-5-6-8-20(19)34-16-27(22-18(28)9-10-21(35)23(22)34)11-13-33(14-12-27)15-26(2,3)4/h5-10,35H,11-16H2,1-4H3,(H2,29,30,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50015276 (CHEMBL3263056 | US9428504, 166 | US9428504, 167) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245342 (US9428504, 91) Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C35H44F3N5O5S/c1-6-42(7-2)49(46,47)29-17-16-28(44)31-30(29)34(18-20-41(21-19-34)22-33(3,4)5)23-43(31)27-11-9-8-10-26(27)40-32(45)39-24-12-14-25(15-13-24)48-35(36,37)38/h8-17,44H,6-7,18-23H2,1-5H3,(H2,39,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	-48.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245341 (US9428504, 90) Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C38H53N5O4S/c1-9-42(10-2)48(46,47)32-20-19-31(44)34-33(32)38(21-23-41(24-22-38)25-36(3,4)5)26-43(34)30-14-12-11-13-29(30)40-35(45)39-28-17-15-27(16-18-28)37(6,7)8/h11-20,44H,9-10,21-26H2,1-8H3,(H2,39,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.5	-48.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245340 (US9428504, 85) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C28H31ClN6O2S/c1-27(2,3)16-34-12-10-28(11-13-34)17-35(24-21(36)9-8-18(14-30)23(24)28)20-7-5-4-6-19(20)31-26(37)33-22-15-38-25(29)32-22/h4-9,15,36H,10-13,16-17H2,1-3H3,(H2,31,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245296 (US9428504, 34) Show SMILES Cc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4F)sc2c1 Show InChI InChI=1S/C32H36FN5O2S/c1-20-9-11-23-26(17-20)41-30(35-23)36-29(40)34-22-7-5-6-8-24(22)38-19-32(27-21(33)10-12-25(39)28(27)38)13-15-37(16-14-32)18-31(2,3)4/h5-12,17,39H,13-16,18-19H2,1-4H3,(H2,34,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245295 (US9428504, 33) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)cc3s2)CC1 Show InChI InChI=1S/C31H33ClFN5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(33)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(32)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017083 (CHEMBL3287049 | US9428504, 39) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1 Show InChI InChI=1S/C31H33ClFN5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(32)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(33)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245414 (US9428504, 173) Show SMILES COc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4F)sc2n1 Show InChI InChI=1S/C31H35FN6O3S/c1-30(2,3)17-37-15-13-31(14-16-37)18-38(26-23(39)11-9-19(32)25(26)31)22-8-6-5-7-20(22)33-28(40)36-29-34-21-10-12-24(41-4)35-27(21)42-29/h5-12,39H,13-18H2,1-4H3,(H2,33,34,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245271 (US9428504, 7) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C34H43FN4O2/c1-32(2,3)21-38-19-17-34(18-20-38)22-39(30-28(40)16-15-25(35)29(30)34)27-10-8-7-9-26(27)37-31(41)36-24-13-11-23(12-14-24)33(4,5)6/h7-16,40H,17-22H2,1-6H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017091 (CHEMBL3287045 | US9428504, 6) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H34F4N4O3/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-20-8-10-21(11-9-20)42-31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245284 (US9428504, 22) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C32H34F6N4O2/c1-29(2,3)18-41-16-14-30(15-17-41)19-42(27-25(43)13-12-22(26(27)30)32(36,37)38)24-7-5-4-6-23(24)40-28(44)39-21-10-8-20(9-11-21)31(33,34)35/h4-13,43H,14-19H2,1-3H3,(H2,39,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245303 (US9428504, 43) Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1 Show InChI InChI=1S/C29H37ClN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017087 (CHEMBL3287041 | US9428504, 10) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C32H34F6N4O3/c1-29(2,3)18-41-16-14-30(15-17-41)19-42(27-25(43)13-12-22(26(27)30)31(33,34)35)24-7-5-4-6-23(24)40-28(44)39-20-8-10-21(11-9-20)45-32(36,37)38/h4-13,43H,14-19H2,1-3H3,(H2,39,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.5	-47.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245287 (US9428504, 25) Show SMILES Cc1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3C(F)(F)F)cs1 Show InChI InChI=1S/C29H34F3N5O2S/c1-18-33-23(15-40-18)35-26(39)34-20-7-5-6-8-21(20)37-17-28(11-13-36(14-12-28)16-27(2,3)4)24-19(29(30,31)32)9-10-22(38)25(24)37/h5-10,15,38H,11-14,16-17H2,1-4H3,(H2,34,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245320 (US9428504, 63) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2csc(n2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H31ClF3N5O2S/c1-26(2,3)15-36-12-10-27(11-13-36)16-37(23-20(38)9-8-17(29)22(23)27)19-7-5-4-6-18(19)33-25(39)35-21-14-40-24(34-21)28(30,31)32/h4-9,14,38H,10-13,15-16H2,1-3H3,(H2,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.90	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245336 (US9428504, 81) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1 Show InChI InChI=1S/C32H33FN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245277 (US9428504, 15) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C31H33F5N4O2/c1-29(2,3)17-39-14-12-30(13-15-39)18-40(27-25(41)11-9-20(26(27)30)31(34,35)36)24-7-5-4-6-23(24)38-28(42)37-19-8-10-21(32)22(33)16-19/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.10	-47.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245413 (US9428504, 172) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 Show InChI InChI=1S/C30H33ClN6O2S/c1-29(2,3)17-36-15-13-30(14-16-36)18-37(25-19(30)7-6-10-23(25)38)22-9-5-4-8-20(22)32-27(39)35-28-33-21-11-12-24(31)34-26(21)40-28/h4-12,38H,13-18H2,1-3H3,(H2,32,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017088 (CHEMBL3287042 | US9428504, 89) Show SMILES CN(C)S(=O)(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C33H40F3N5O5S/c1-31(2,3)20-40-18-16-32(17-19-40)21-41(29-26(42)14-15-27(28(29)32)47(44,45)39(4)5)25-9-7-6-8-24(25)38-30(43)37-22-10-12-23(13-11-22)46-33(34,35)36/h6-15,42H,16-21H2,1-5H3,(H2,37,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245365 (US9428504, 114) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3ccc(F)cc3s2)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C34H34ClFN6O2S2/c1-33(2,3)18-41-14-12-34(13-15-41)19-42(24-7-5-4-6-22(24)38-32(44)40-27-17-45-31(35)39-27)29-25(43)11-9-21(28(29)34)30-37-23-10-8-20(36)16-26(23)46-30/h4-11,16-17,43H,12-15,18-19H2,1-3H3,(H2,38,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245300 (US9428504, 40) Show SMILES Cc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)sc2c1 Show InChI InChI=1S/C32H36ClN5O2S/c1-20-9-11-23-26(17-20)41-30(35-23)36-29(40)34-22-7-5-6-8-24(22)38-19-32(27-21(33)10-12-25(39)28(27)38)13-15-37(16-14-32)18-31(2,3)4/h5-12,17,39H,13-16,18-19H2,1-4H3,(H2,34,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245274 (US9428504, 12) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H33F6N5O3/c1-28(2,3)17-41-15-12-29(13-16-41)18-42(25-23(43)11-10-21(24(25)29)30(32,33)34)26-22(5-4-14-38-26)40-27(44)39-19-6-8-20(9-7-19)45-31(35,36)37/h4-11,14,43H,12-13,15-18H2,1-3H3,(H2,39,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017089 (CHEMBL3287043 | US9428504, 8) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C32H34F3N5O3/c1-30(2,3)19-39-16-14-31(15-17-39)20-40(28-26(41)13-8-21(18-36)27(28)31)25-7-5-4-6-24(25)38-29(42)37-22-9-11-23(12-10-22)43-32(33,34)35/h4-13,41H,14-17,19-20H2,1-3H3,(H2,37,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.70	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245338 (US9428504, 83) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2nc3ccc(Cl)cc3s2)CC1 Show InChI InChI=1S/C32H33ClN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-47.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017084 (CHEMBL3287050 | US9428504, 61) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C27H31Cl2N5O2S/c1-26(2,3)15-33-12-10-27(11-13-33)16-34(23-20(35)9-8-17(28)22(23)27)19-7-5-4-6-18(19)30-25(36)32-21-14-37-24(29)31-21/h4-9,14,35H,10-13,15-16H2,1-3H3,(H2,30,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.80	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245306 (US9428504, 46) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3CCCc3s2)CC1 Show InChI InChI=1S/C30H36ClN5O2S/c1-29(2,3)17-35-15-13-30(14-16-35)18-36(26-23(37)12-11-19(31)25(26)30)22-9-5-4-7-20(22)32-27(38)34-28-33-21-8-6-10-24(21)39-28/h4-5,7,9,11-12,37H,6,8,10,13-18H2,1-3H3,(H2,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245280 (US9428504, 18) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C28H31ClF3N5O2S/c1-26(2,3)15-36-12-10-27(11-13-36)16-37(23-20(38)9-8-17(22(23)27)28(30,31)32)19-7-5-4-6-18(19)33-25(39)35-21-14-40-24(29)34-21/h4-9,14,38H,10-13,15-16H2,1-3H3,(H2,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245316 (US9428504, 56) Show SMILES Cc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)cc1F Show InChI InChI=1S/C31H36ClFN4O2/c1-20-9-10-21(17-23(20)33)34-29(39)35-24-7-5-6-8-25(24)37-19-31(27-22(32)11-12-26(38)28(27)37)13-15-36(16-14-31)18-30(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H2,34,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017085 (CHEMBL3287051 | US9428504, 60) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H34ClF3N4O2/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-21-10-8-20(9-11-21)31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	6.40	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245291 (US9428504, 29) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2nccs2)CC1 Show InChI InChI=1S/C28H32F3N5O2S/c1-26(2,3)16-35-13-10-27(11-14-35)17-36(23-21(37)9-8-18(22(23)27)28(29,30)31)20-7-5-4-6-19(20)33-24(38)34-25-32-12-15-39-25/h4-9,12,15,37H,10-11,13-14,16-17H2,1-3H3,(H2,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245412 (US9428504, 170) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(F)nc3s2)CC1 Show InChI InChI=1S/C30H32ClFN6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245321 (US9428504, 64) Show SMILES CC(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H32ClF3N4O2/c1-19(2)17-37-15-13-29(14-16-37)18-38(27-25(39)12-11-22(31)26(27)29)24-6-4-3-5-23(24)36-28(40)35-21-9-7-20(8-10-21)30(32,33)34/h3-12,19,39H,13-18H2,1-2H3,(H2,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245309 (US9428504, 49) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3CCSCc3s2)CC1 Show InChI InChI=1S/C30H36ClN5O2S2/c1-29(2,3)17-35-13-11-30(12-14-35)18-36(26-23(37)9-8-19(31)25(26)30)22-7-5-4-6-20(22)32-27(38)34-28-33-21-10-15-39-16-24(21)40-28/h4-9,37H,10-18H2,1-3H3,(H2,32,33,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245290 (US9428504, 28) Show SMILES CC(C)c1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3C(F)(F)F)cs1 Show InChI InChI=1S/C31H38F3N5O2S/c1-19(2)27-36-24(16-42-27)37-28(41)35-21-8-6-7-9-22(21)39-18-30(12-14-38(15-13-30)17-29(3,4)5)25-20(31(32,33)34)10-11-23(40)26(25)39/h6-11,16,19,40H,12-15,17-18H2,1-5H3,(H2,35,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50015276 (CHEMBL3263056 | US9428504, 166 | US9428504, 167) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245310 (US9428504, 50) Show SMILES COc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1 Show InChI InChI=1S/C27H33ClN6O3S/c1-26(2,3)15-33-13-11-27(12-14-33)16-34(22-20(35)10-9-17(28)21(22)27)19-8-6-5-7-18(19)29-23(36)30-25-31-24(37-4)32-38-25/h5-10,35H,11-16H2,1-4H3,(H2,29,30,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245415 (US9428504, 174) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(F)nc3s2)CC1 Show InChI InChI=1S/C30H32F2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245364 (US9428504, 113) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3ccc(Cl)cc3s2)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1 Show InChI InChI=1S/C34H34Cl2N6O2S2/c1-33(2,3)18-41-14-12-34(13-15-41)19-42(24-7-5-4-6-22(24)38-32(44)40-27-17-45-31(36)39-27)29-25(43)11-9-21(28(29)34)30-37-23-10-8-20(35)16-26(23)46-30/h4-11,16-17,43H,12-15,18-19H2,1-3H3,(H2,38,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.10	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017090 (CHEMBL3287044 | US9428504, 59) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H34ClF3N4O3/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-20-8-10-21(11-9-20)42-31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245299 (US9428504, 37) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H34F4N4O2/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-21-10-8-20(9-11-21)31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245301 (US9428504, 41) Show SMILES COC(=O)c1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)sc2c1 Show InChI InChI=1S/C33H36ClN5O4S/c1-32(2,3)18-38-15-13-33(14-16-38)19-39(28-25(40)12-10-21(34)27(28)33)24-8-6-5-7-22(24)35-30(42)37-31-36-23-11-9-20(29(41)43-4)17-26(23)44-31/h5-12,17,40H,13-16,18-19H2,1-4H3,(H2,35,36,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245417 (US9428504, 176) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ncccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1 Show InChI InChI=1S/C30H31ClF3N7O2S/c1-28(2,3)15-40-13-10-29(11-14-40)16-41(23-20(42)8-6-17(22(23)29)30(32,33)34)24-18(5-4-12-35-24)36-26(43)39-27-37-19-7-9-21(31)38-25(19)44-27/h4-9,12,42H,10-11,13-16H2,1-3H3,(H2,36,37,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245288 (US9428504, 26) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2csc(Cl)c2)CC1 Show InChI InChI=1S/C29H32ClF3N4O2S/c1-27(2,3)16-36-12-10-28(11-13-36)17-37(25-22(38)9-8-19(24(25)28)29(31,32)33)21-7-5-4-6-20(21)35-26(39)34-18-14-23(30)40-15-18/h4-9,14-15,38H,10-13,16-17H2,1-3H3,(H2,34,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245304 (US9428504, 44) Show SMILES CCSc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1 Show InChI InChI=1S/C28H35ClN6O2S2/c1-5-38-26-32-25(39-33-26)31-24(37)30-19-8-6-7-9-20(19)35-17-28(22-18(29)10-11-21(36)23(22)35)12-14-34(15-13-28)16-27(2,3)4/h6-11,36H,5,12-17H2,1-4H3,(H2,30,31,32,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM245294 (US9428504, 32) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1 Show InChI InChI=1S/C31H33F2N5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(33)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(32)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9428504 (2016) BindingDB Entry DOI: 10.7270/Q24748SD
					More data for this Ligand-Target Pair

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