Compile Data Set for Download or QSAR

Found 159 hits of affinity data for UniProtKB/TrEMBL: P51575   

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 1 (Homo sapiens (Human))	BDBM50171290 (5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Synthelabo Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 905-14 (2004) Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM85682 (CAS_5311315 | NF279 | NSC_5311315) Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)/p-6	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocentre Niederursel Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000) Article DOI: 10.1007/s002100000312 BindingDB Entry DOI: 10.7270/Q2CF9NPR
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50000029 (4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(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 MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biocentre Niederursel Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 362: 340-50 (2000) Article DOI: 10.1007/s002100000312 BindingDB Entry DOI: 10.7270/Q2CF9NPR
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM21280 (5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 644-50 (1998) BindingDB Entry DOI: 10.7270/Q2D50KHT
					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 (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 (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 (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 (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 (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 (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
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540413 (CHEMBL2313124) Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H10ClF6NO2/c1-26-13-3-2-10(17)7-12(13)14(25)24-11-5-8(15(18,19)20)4-9(6-11)16(21,22)23/h2-7H,1H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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))	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	1.14E+3	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))	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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Affinity at P2X purinoceptor 1 (P2X1) and the value is expressed as IC50				J Med Chem 45: 962-72 (2002) BindingDB Entry DOI: 10.7270/Q2ST7QK0
					More data for this Ligand-Target Pair
P2X 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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114035 BindingDB Entry DOI: 10.7270/Q2Q52TMM
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50540430 (Salfluverine) Show SMILES Oc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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))	BDBM50540445 (CHEMBL2179166) Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C#C Show InChI InChI=1S/C15H10ClNO2/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18/h1,3-9,18H,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	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))	BDBM50594498 (CHEMBL4583478) 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(S)ncnc12 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+3	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 (Homo sapiens (Human))	BDBM50430161 (CHEMBL2313134) Show SMILES Oc1ccc(Cl)cc1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H10ClF6NO2/c17-11-1-2-13(25)12(6-11)14(26)24-7-8-3-9(15(18,19)20)5-10(4-8)16(21,22)23/h1-6,25H,7H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	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))	BDBM50445214 (CHEMBL3104636) Show SMILES CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2X1 receptor in HEK293 cells assessed as alpha, beta-methylene ATP-induced calcium flux by FLIPR assay				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50430157 (CHEMBL2313116) Show SMILES Oc1ccc(F)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H8F7NO2/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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	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))	BDBM50540453 (CHEMBL4644509) Show SMILES Oc1ccc(Cl)cc1C(=O)CNc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H10ClF6NO2/c17-10-1-2-13(25)12(6-10)14(26)7-24-11-4-8(15(18,19)20)3-9(5-11)16(21,22)23/h1-6,24-25H,7H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	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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