Compile Data Set for Download or QSAR

Found 170 hits of ic50 data for polymerid = 49000976,49000978   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 1 (RAT)	BDBM50240455 (CHEMBL1253351) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat P2X1 receptor				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM526264 (US11185100, TABLE 14.4) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00812 BindingDB Entry DOI: 10.7270/Q2XS60DK
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50540410 (CHEMBL337395) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]2OC3(O[C@@H]12)C(=CC(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39| Show InChI InChI=1S/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat P2X1 receptor				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102298 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O7P/c1-8-13(20)11(6-19)12(7-26(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102299 (2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...) Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O11PS2/c1-7-13(19)9(5-18)10(6-29(20,21)22)14(15-7)17-16-11-4-8(30(23,24)25)2-3-12(11)31(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102300 (CHEMBL331250 | [4-(4-Formyl-5-hydroxy-6-methyl-3-p...) Show SMILES Cc1nc(N=Nc2ccc(cc2)P(O)(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C14H15N3O8P2/c1-8-13(19)11(6-18)12(7-26(20,21)22)14(15-8)17-16-9-2-4-10(5-3-9)27(23,24)25/h2-6,19H,7H2,1H3,(H2,20,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50118221 (9H-purine derivative | CHEMBL132722 | DIPHOSPHOMET...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA				J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430160 (CHEMBL536151 | TCMDC-125465) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102301 (4-[4-Formyl-5-hydroxy-6-methyl-3-(2-phosphono-ethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CCP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C16H16N3O7P/c1-9-14(21)13(8-20)12(6-7-27(24,25)26)15(17-9)19-18-11-4-2-10(3-5-11)16(22)23/h2-5,8,21H,6-7H2,1H3,(H,22,23)(H2,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430195 (CHEMBL2338696) Show SMILES Oc1cc(Cl)ccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8ClF6NO2/c16-9-1-2-11(12(24)6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430185 (CHEMBL2179173) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H8Cl3NO2/c14-7-1-2-12(18)11(6-7)13(19)17-10-4-8(15)3-9(16)5-10/h1-6,18H,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540434 (CHEMBL4640175) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C14H8ClF3N2O4/c15-8-1-2-12(21)11(5-8)13(22)19-9-3-7(14(16,17)18)4-10(6-9)20(23)24/h1-6,21H,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102296 (2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...) Show SMILES Cc1nc(N=Nc2cc(ccc2C(O)=O)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C16H14N3O9P/c1-7-13(21)10(5-20)11(6-29(26,27)28)14(17-7)19-18-12-4-8(15(22)23)2-3-9(12)16(24)25/h2-5,21H,6H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430177 (CHEMBL2088014) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-6-12(20)11(7-9)13(21)19-10-4-1-8(2-5-10)14(16,17)18/h1-7,20H,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102304 (CHEMBL116926 | Phosphoric acid mono-(4-formyl-5-hy...) Show SMILES Cc1nc(N=Nc2ccccc2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C14H14N3O6P/c1-9-13(19)11(7-18)12(8-23-24(20,21)22)14(15-9)17-16-10-5-3-2-4-6-10/h2-7,19H,8H2,1H3,(H2,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102297 (CHEMBL118007 | [2-(3,5-Bis-phosphonomethyl-phenyla...) Show SMILES Cc1nc(N=Nc2cc(CP(O)(O)=O)cc(CP(O)(O)=O)c2)c(CP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C16H20N3O11P3/c1-9-15(21)13(5-20)14(8-33(28,29)30)16(17-9)19-18-12-3-10(6-31(22,23)24)2-11(4-12)7-32(25,26)27/h2-5,21H,6-8H2,1H3,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50064800 (2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X1 receptor expressed in Xenopus oocytes assessed as ion flux stimulation				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540436 (CHEMBL2179174) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cc(F)cc(F)c1 Show InChI InChI=1S/C13H8ClF2NO2/c14-7-1-2-12(18)11(3-7)13(19)17-10-5-8(15)4-9(16)6-10/h1-6,18H,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430156 (CHEMBL2338695) Show SMILES Oc1c(Cl)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8ClF6NO2/c16-11-3-1-2-10(12(11)24)13(25)23-9-5-7(14(17,18)19)4-8(6-9)15(20,21)22/h1-6,24H,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50422739 (CHEMBL413145) Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibitory concentration against human P2X purinoceptor 1 expressed in Xenopus laevis oocytes				J Med Chem 48: 7040-8 (2005) Article DOI: 10.1021/jm050301p BindingDB Entry DOI: 10.7270/Q2JM2BZ7
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540422 (CHEMBL4644398) Show SMILES Oc1c(F)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8F7NO2/c16-11-3-1-2-10(12(11)24)13(25)23-9-5-7(14(17,18)19)4-8(6-9)15(20,21)22/h1-6,24H,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540442 (CHEMBL2088011) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430159 (CHEMBL461542) Show SMILES Oc1ccccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H9F6NO2/c16-14(17,18)8-5-9(15(19,20)21)7-10(6-8)22-13(24)11-3-1-2-4-12(11)23/h1-7,23H,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430176 (CHEMBL589733 | MMV665807 | SJ000010289) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO2/c15-9-4-5-12(20)11(7-9)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,20H,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM85043 (CAS_149017-66-3 | CHEMBL69234 | NSC_6093163 | PPAD...) Show SMILES Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3| Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540410 (CHEMBL337395) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]2OC3(O[C@@H]12)C(=CC(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39| Show InChI InChI=1S/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01197 BindingDB Entry DOI: 10.7270/Q2RX9H1T
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540439 (CHEMBL2088009) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C13H9ClN2O4/c14-8-4-5-12(17)11(6-8)13(18)15-9-2-1-3-10(7-9)16(19)20/h1-7,17H,(H,15,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X 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)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at P2X1 receptor (unknown origin) by FLIPR assay				Bioorg Med Chem Lett 24: 1294-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.066 BindingDB Entry DOI: 10.7270/Q20G3MQF
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540432 (CHEMBL2088012) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C13H9Cl2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50118228 (5,7-Disulfo-4-(3-{3-[3-(4,6,8-trisulfo-naphthalen-...) Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	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 recombinant human P2X purinoceptor 1 (P2X1 )				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540449 (CHEMBL4637528) Show SMILES Oc1c(Cl)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C14H8ClF3N2O4/c15-11-3-1-2-10(12(11)21)13(22)19-8-4-7(14(16,17)18)5-9(6-8)20(23)24/h1-6,21H,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50240455 (CHEMBL1253351) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430194 (CHEMBL2313115) Show SMILES Cc1ccc(O)c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H11F6NO2/c1-8-2-3-13(24)12(4-8)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430186 (CHEMBL2178702) Show SMILES Cc1cc(C)cc(NC(=O)c2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C15H14ClNO2/c1-9-5-10(2)7-12(6-9)17-15(19)13-8-11(16)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540443 (CHEMBL4648128) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO4S/c15-8-4-5-12(20)11(6-8)13(21)19-9-2-1-3-10(7-9)24(22,23)14(16,17)18/h1-7,20H,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430170 (CHEMBL2338686) Show SMILES Oc1c(ccc2ccccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H11F6NO2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(28)15-6-5-10-3-1-2-4-14(10)16(15)27/h1-9,27H,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity against rat P2X1 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...				J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540456 (CHEMBL2313133) Show SMILES Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C14H8ClF6NO3S/c15-9-1-2-11(23)12(6-9)26(24,25)22-10-4-7(13(16,17)18)3-8(5-10)14(19,20)21/h1-6,22-23H	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50168286 (1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R...) Show SMILES O[C@H]([C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cscn1)NC(=O)c1nc2ccccc2[nH]1)[C@@H](O)C1CC1 Show InChI InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540441 (CHEMBL2179168) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C14H9ClN2O2/c15-10-4-5-13(18)12(7-10)14(19)17-11-3-1-2-9(6-11)8-16/h1-7,18H,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	522	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540444 (CHEMBL2179170) Show SMILES CC(C)(C)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 Show InChI InChI=1S/C17H18ClNO2/c1-17(2,3)11-5-4-6-13(9-11)19-16(21)14-10-12(18)7-8-15(14)20/h4-10,20H,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	567	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430160 (CHEMBL536151 | TCMDC-125465) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity P2X1 receptor in Apyrase pre-treated human platelets assessed as inhibition of collagen-induced platelet aggregation pre-incubate...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50399190 (CHEMBL2180149) Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X1 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540423 (CHEMBL4639803) Show SMILES Cc1cccc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1O Show InChI InChI=1S/C16H11F6NO2/c1-8-3-2-4-12(13(8)24)14(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7,24H,1H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	655	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430193 (CHEMBL2313119) Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	755	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540424 (CHEMBL3628655) Show SMILES Oc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8F6N2O4/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-13(25)10-2-1-3-11(12(10)24)23(26)27/h1-6,24H,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	869	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540433 (CHEMBL2312822) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C13H9ClFNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	907	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540435 (CHEMBL4634436) Show SMILES COc1cc(NC(=O)c2cc(Cl)ccc2O)cc(OC)c1 Show InChI InChI=1S/C15H14ClNO4/c1-20-11-6-10(7-12(8-11)21-2)17-15(19)13-5-9(16)3-4-14(13)18/h3-8,18H,1-2H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...				J Med Chem 63: 6164-6178 (2020) Article DOI: 10.1021/acs.jmedchem.0c00435 BindingDB Entry DOI: 10.7270/Q24F1V93
					More data for this Ligand-Target Pair

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