Compile Data Set for Download or QSAR

Found 26 hits of kd data for polymerid = 49000976,49000978,49000979,49000981,49000983,49000985,50000466,50000724,50000725,50000731   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-28-7-3-4-10-35(28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-11-5-8-30-26-40-19-17-33(30)37)25-29-13-15-32(16-14-29)50-52(48,49)38-12-6-9-31-27-41-20-18-34(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Equilibrium constant for P2X purinoceptor 7 expressed in HEK 293 cells at 1 uM				Bioorg Med Chem Lett 14: 5709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.07.095 BindingDB Entry DOI: 10.7270/Q2ZW1KCM
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-28-7-3-4-10-35(28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-11-5-8-30-26-40-19-17-33(30)37)25-29-13-15-32(16-14-29)50-52(48,49)38-12-6-9-31-27-41-20-18-34(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Maximum binding affinity towards P2X purinoceptor 7 expressed in HEK 293 cells				Bioorg Med Chem Lett 14: 5709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.07.095 BindingDB Entry DOI: 10.7270/Q2ZW1KCM
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50409686 (CHEMBL173068) Show SMILES CNc1nc(C)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1 Show InChI InChI=1S/C12H19N5O9P2/c1-6-15-11(13-2)10-12(16-6)17(5-14-10)9-3-7(26-28(21,22)23)8(25-9)4-24-27(18,19)20/h5,7-9H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	77.6	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description pA2 value was evaluated against P2Y purinoceptor 1				J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271557 (CHEMBL4127889) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(Cc4nc(cs4)C(=O)Nc4nnn[nH]4)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F |c:10,38,68,t:8| Show InChI InChI=1S/C41H38BClF2N14O4S3/c1-21-15-22(2)58-30(21)17-26-6-5-25(59(26)42(58,44)45)7-10-32(60)46-13-14-47-33(61)11-12-48-40-50-36-31(66-40)9-3-23-16-24(43)4-8-27(23)35(36)28-18-57(41(63)52-38(28)64)19-34-49-29(20-65-34)37(62)51-39-53-55-56-54-39/h3-6,8-9,15-18,20,35H,7,10-14,19H2,1-2H3,(H,46,60)(H,47,61)(H,48,50)(H,52,63,64)(H2,51,53,54,55,56,62)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118229 (CHEMBL129841 | MRS 2179) Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1 Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human P2Y1 receptor				Bioorg Med Chem Lett 18: 3338-43 (2008) Article DOI: 10.1016/j.bmcl.2008.04.028 BindingDB Entry DOI: 10.7270/Q2X34Z95
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271587 (CHEMBL4128532) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc4nc5C(c6ccc(Cl)cc6C=Cc5s4)c4cn(Cc5nc(cs5)C(=O)Nc5nnn[nH]5)c(=O)[nH]c4=S)cc3)=[N+]12 |c:17,59,t:15,92| Show InChI InChI=1S/C56H51BClF2N15O6S4/c58-35-11-18-40-34(27-35)10-20-45-51(50(40)41-29-73(56(80)68-53(41)82)30-49-65-42(32-84-49)52(79)67-54-69-71-72-70-54)66-55(85-45)64-23-21-47(77)63-25-24-62-46(76)6-2-1-3-22-61-48(78)31-81-39-16-8-33(9-17-39)7-12-36-13-14-37-28-38-15-19-43(44-5-4-26-83-44)75(38)57(59,60)74(36)37/h4-5,7-20,26-29,32,50H,1-3,6,21-25,30-31H2,(H,61,78)(H,62,76)(H,63,77)(H,64,66)(H,68,80,82)(H2,67,69,70,71,72,79)/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118229 (CHEMBL129841 | MRS 2179) Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1 Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description pA2 value was evaluated against P2Y purinoceptor 1				J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271589 (CHEMBL4128024) Show SMILES Cc1ccc2C(c3ccc(C)cc3CCc2c1)c1cn(Cc2cc(cc(c2)C(O)=O)C(O)=O)c(=O)[nH]c1=S Show InChI InChI=1S/C30H26N2O5S/c1-16-3-7-23-19(9-16)5-6-20-10-17(2)4-8-24(20)26(23)25-15-32(30(37)31-27(25)38)14-18-11-21(28(33)34)13-22(12-18)29(35)36/h3-4,7-13,15,26H,5-6,14H2,1-2H3,(H,33,34)(H,35,36)(H,31,37,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271588 (CHEMBL4126655) Show SMILES Cc1cc(C)n2c1C=C1C=CC(\C=C\c3ccc(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc4nc5C(c6ccc(Cl)cc6C=Cc5s4)c4cn(Cc5nc(cs5)C(=O)Nc5nnn[nH]5)c(=O)[nH]c4=S)cc3)=[N+]1[B-]2(F)F |c:10,52,85,t:8| Show InChI InChI=1S/C55H55BClF2N15O5S3/c1-32-26-33(2)73-43(32)28-39-17-16-38(74(39)56(73,58)59)15-11-34-7-9-35(10-8-34)12-20-46(76)60-22-5-3-4-6-45(75)61-24-25-62-47(77)21-23-63-54-65-50-44(82-54)19-13-36-27-37(57)14-18-40(36)49(50)41-29-72(55(79)67-52(41)80)30-48-64-42(31-81-48)51(78)66-53-68-70-71-69-53/h7-11,13-19,26-29,31,49H,3-6,12,20-25,30H2,1-2H3,(H,60,76)(H,61,75)(H,62,77)(H,63,65)(H,67,79,80)(H2,66,68,69,70,71,78)/b15-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50586608 (CHEMBL5083184) Show SMILES CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C)=C3C=C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C |c:1,24| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human wild type P2X7R assessed as dissociation constant by microscale thermophoresis analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128361 BindingDB Entry DOI: 10.7270/Q2D222JS
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271560 (CHEMBL4125853) Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2cc(cc(c2)C(=O)Nc2nnn[nH]2)C(=O)NCCOCCOCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c(=O)[nH]c1=S |c:14,65,67,t:62| Show InChI InChI=1S/C60H54BF2N11O7S2/c1-37-5-18-49-41(28-37)10-11-42-29-38(2)6-19-50(42)55(49)51-35-72(60(78)67-58(51)82)34-40-30-43(32-44(31-40)57(77)66-59-68-70-71-69-59)56(76)65-22-24-80-26-25-79-23-21-64-54(75)36-81-48-16-8-39(9-17-48)7-12-45-13-14-46-33-47-15-20-52(53-4-3-27-83-53)74(47)61(62,63)73(45)46/h3-20,27-33,35,55H,21-26,34,36H2,1-2H3,(H,64,75)(H,65,76)(H,67,78,82)(H2,66,68,69,70,71,77)/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	759	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50118237 (CHEMBL130059 | Uniblue A) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)S(=O)(=O)C=C)cc1S([O-])(=O)=O Show InChI InChI=1S/C22H16N2O7S2/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h2-11,24H,1,23H2,(H,29,30,31)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Dissociation constant at P2X purinoceptor 1 from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271561 (CHEMBL4125987) Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2cc(cc(c2)C(=O)Nc2nnn[nH]2)C(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)c(=O)[nH]c1=S |c:14,90,t:70| Show InChI InChI=1S/C66H67BF2N12O8S2/c1-42-9-22-54-46(33-42)14-15-47-34-43(2)10-23-55(47)61(54)56-40-79(66(86)74-64(56)90)39-45-35-48(37-49(36-45)63(85)73-65-75-77-78-76-65)62(84)72-27-29-88-31-30-87-28-26-71-59(82)8-4-3-5-25-70-60(83)41-89-53-20-12-44(13-21-53)11-16-50-17-18-51-38-52-19-24-57(58-7-6-32-91-58)81(52)67(68,69)80(50)51/h6-7,9-24,32-37,40,51,61H,3-5,8,25-31,38-39,41H2,1-2H3,(H,70,83)(H,71,82)(H,72,84)(H,74,86,90)(H2,73,75,76,77,78,85)/b16-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271586 (CHEMBL4125833) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCNC(=O)CCNc4nc5C(c6ccc(Cl)cc6C=Cc5s4)c4cn(Cc5nc(cs5)C(=O)Nc5nnn[nH]5)c(=O)[nH]c4=S)cc3)=[N+]12 |c:17,51,t:15,84| Show InChI InChI=1S/C50H40BClF2N14O5S4/c52-30-7-14-35-29(22-30)6-16-40-45(44(35)36-24-66(50(72)61-47(36)74)25-43-58-37(27-76-43)46(71)60-48-62-64-65-63-48)59-49(77-40)57-18-17-41(69)55-19-20-56-42(70)26-73-34-12-4-28(5-13-34)3-8-31-9-10-32-23-33-11-15-38(39-2-1-21-75-39)68(33)51(53,54)67(31)32/h1-16,21-24,27,44H,17-20,25-26H2,(H,55,69)(H,56,70)(H,57,59)(H,61,72,74)(H2,60,62,63,64,65,71)/b8-3+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118211 (Acid Blue 129 | CHEMBL133576 | cid_23675739 | sodi...) Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1 Show InChI InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Dissociative constant at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50118231 (CHEMBL134193 | Cibachron Blue 3GA) Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Dissociation constant of the copound at P2X purinoceptor 1 (P2X1) from rat vas deferens was reported				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271545 (CHEMBL4127230) Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2cc(cc(c2)C(=O)Nc2nnn[nH]2)C(=O)NCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)c(=O)[nH]c1=S |c:14,84,t:64| Show InChI InChI=1S/C62H59BF2N12O6S2/c1-38-9-22-50-42(29-38)14-15-43-30-39(2)10-23-51(43)57(50)52-36-75(62(82)70-60(52)84)35-41-31-44(33-45(32-41)59(81)69-61-71-73-74-72-61)58(80)68-27-26-67-55(78)8-4-3-5-25-66-56(79)37-83-49-20-12-40(13-21-49)11-16-46-17-18-47-34-48-19-24-53(54-7-6-28-85-54)77(48)63(64,65)76(46)47/h6-7,9-24,28-33,36,47,57H,3-5,8,25-27,34-35,37H2,1-2H3,(H,66,79)(H,67,78)(H,68,80)(H,70,82,84)(H2,69,71,72,73,74,81)/b16-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271569 (CHEMBL4128318) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F |c:10,46,61,t:8| Show InChI InChI=1S/C42H47BClF2N9O4S2/c1-25-21-26(2)54-33(25)23-30-11-10-29(55(30)43(54,45)46)12-15-36(57)47-17-6-4-5-7-35(56)48-19-20-49-37(58)16-18-50-41-51-39-34(61-41)14-8-27-22-28(44)9-13-31(27)38(39)32-24-53(3)42(59)52-40(32)60/h8-11,13-14,21-24,38H,4-7,12,15-20H2,1-3H3,(H,47,57)(H,48,56)(H,49,58)(H,50,51)(H,52,59,60)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271559 (CHEMBL4126826) Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2cc(cc(c2)C(=O)Nc2nnn[nH]2)C(=O)NCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c(=O)[nH]c1=S |c:14,59,61,t:56| Show InChI InChI=1S/C56H46BF2N11O5S2/c1-33-5-18-45-37(24-33)10-11-38-25-34(2)6-19-46(38)51(45)47-31-68(56(74)63-54(47)76)30-36-26-39(28-40(27-36)53(73)62-55-64-66-67-65-55)52(72)61-22-21-60-50(71)32-75-44-16-8-35(9-17-44)7-12-41-13-14-42-29-43-15-20-48(49-4-3-23-77-49)70(43)57(58,59)69(41)42/h3-20,23-29,31,51H,21-22,30,32H2,1-2H3,(H,60,71)(H,61,72)(H,63,74,76)(H2,62,64,65,66,67,73)/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118231 (CHEMBL134193 | Cibachron Blue 3GA) Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonistic activity at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118234 (CHEMBL129904 | MRS 2160) Show SMILES Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H13ClN3O8P/c1-7-13(21)10(5-20)11(6-27-28(24,25)26)14(17-7)19-18-8-2-3-9(15(22)23)12(16)4-8/h2-5,21H,6H2,1H3,(H,22,23)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonistic activity at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271585 (CHEMBL4129129) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCCC(=O)NCCOCCOCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F |c:10,52,67,t:8| Show InChI InChI=1S/C46H55BClF2N9O6S2/c1-29-25-30(2)58-37(29)27-34-11-10-33(59(34)47(58,49)50)12-15-40(61)51-17-6-4-5-7-39(60)52-19-21-64-23-24-65-22-20-53-41(62)16-18-54-45-55-43-38(67-45)14-8-31-26-32(48)9-13-35(31)42(43)36-28-57(3)46(63)56-44(36)66/h8-11,13-14,25-28,42H,4-7,12,15-24H2,1-3H3,(H,51,61)(H,52,60)(H,53,62)(H,54,55)(H,56,63,66)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271568 (CHEMBL4129299) Show SMILES Cn1cc(C2c3nc(NCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\C5=[N+]6C(Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)sc3C=Cc3cc(Cl)ccc23)c(=S)[nH]c1=O |c:61,70,t:41| Show InChI InChI=1S/C55H59BClF2N9O7S3/c1-66-34-44(53(76)65-55(66)72)51-43-19-12-38(57)32-37(43)11-21-47-52(51)64-54(78-47)63-24-22-49(70)62-26-28-74-30-29-73-27-25-61-48(69)7-3-2-4-23-60-50(71)35-75-42-17-9-36(10-18-42)8-13-39-14-15-40-33-41-16-20-45(46-6-5-31-77-46)68(41)56(58,59)67(39)40/h5-6,8-21,31-32,34,40,51H,2-4,7,22-30,33,35H2,1H3,(H,60,71)(H,61,69)(H,62,70)(H,63,64)(H,65,72,76)/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50271546 (CHEMBL4129692) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCNC(=O)CCNc3nc4C(c5ccc(Cl)cc5C=Cc4s3)c3cn(C)c(=O)[nH]c3=S)=[N+]1[B-]2(F)F |c:10,38,53,t:8| Show InChI InChI=1S/C36H36BClF2N8O3S2/c1-20-16-21(2)47-28(20)18-25-7-6-24(48(25)37(47,39)40)8-11-30(49)41-14-15-42-31(50)12-13-43-35-44-33-29(53-35)10-4-22-17-23(38)5-9-26(22)32(33)27-19-46(3)36(51)45-34(27)52/h4-7,9-10,16-19,32H,8,11-15H2,1-3H3,(H,41,49)(H,42,50)(H,43,44)(H,45,51,52)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a
University Park Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by fu...				J Med Chem 61: 3089-3113 (2018) Article DOI: 10.1021/acs.jmedchem.8b00139 BindingDB Entry DOI: 10.7270/Q21C20CD
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50118211 (Acid Blue 129 | CHEMBL133576 | cid_23675739 | sodi...) Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1 Show InChI InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) like receptor from rat vas deferens				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50118237 (CHEMBL130059 | Uniblue A) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)S(=O)(=O)C=C)cc1S([O-])(=O)=O Show InChI InChI=1S/C22H16N2O7S2/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h2-11,24H,1,23H2,(H,29,30,31)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Dissociation constant at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair