Compile Data Set for Download or QSAR

Found 475 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4'   

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 4 (Homo sapiens (Human))	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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	27.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50300129 (CHEMBL572528 | CIBACRON BLUE | Cibacron 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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	39.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM50029031 (1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...) Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([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(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	46.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50370141 (TNP-ATP) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39,(6.91,.64,;6.89,-.9,;5.56,-1.66,;5.55,-3.21,;6.88,-3.97,;8.21,-3.22,;9.67,-3.7,;10.58,-2.46,;9.68,-1.21,;8.22,-1.68,;10.14,-5.17,;9.23,-6.42,;10.13,-7.66,;9.36,-9,;7.82,-9.01,;7.06,-10.34,;5.72,-9.57,;8.15,-11.43,;5.96,-11.43,;4.42,-11.44,;4.39,-9.89,;3.66,-12.79,;2.92,-11.07,;1.38,-11.1,;.93,-9.62,;-.11,-11.54,;1.4,-12.64,;11.6,-7.19,;13.07,-7.68,;13.97,-6.42,;13.07,-5.18,;11.6,-5.65,;14.73,-7.75,;16.26,-7.76,;17.03,-6.44,;16.26,-5.11,;14.73,-5.1,;13.96,-3.76,;14.73,-2.42,;12.42,-3.75,;18.57,-6.45,;19.34,-5.11,;19.34,-7.79,;13.95,-9.09,;12.41,-9.08,;14.72,-10.43,)| Show InChI InChI=1S/C16H16N8O19P3/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/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Competitive antagonist activity at human P2X4 receptor expressed in 1321N1 cell membrane assessed as inhibition of [35S]ATPgammaS binding by scintill...				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 4 (Homo sapiens (Human))	BDBM85044 (Bromphenol blue | Brophenol Blue | CAS_115-39-9 | ...) Show SMILES Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	78.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM50300129 (CHEMBL572528 | CIBACRON BLUE | Cibacron 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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM85044 (Bromphenol blue | Brophenol Blue | CAS_115-39-9 | ...) Show SMILES Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Institute for Experimental Medicine Curated by PDSP Ki Database									Mol Pharmacol 51: 109-18 (1997) Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	5.00E+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 4 (Homo sapiens (Human))	BDBM85730 (CAS_5311313 | NF023 | NSC_5311313) Show SMILES [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(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/C33H26N4O19S6/c38-33(36-19-5-1-3-17(11-19)34-25-7-9-27(59(45,46)47)23-13-21(57(39,40)41)15-29(31(23)25)61(51,52)53)37-20-6-2-4-18(12-20)35-26-8-10-28(60(48,49)50)24-14-22(58(42,43)44)16-30(32(24)26)62(54,55)56/h1-16,34-35H,(H2,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/p-6	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 4 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 4 (Homo sapiens (Human))	BDBM50506156 (CHEMBL4471140) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C21H19ClN2O4S/c22-18-9-5-4-8-16(18)12-21(25)24-17-10-11-19(20(13-17)29(23,26)27)28-14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506203 (CHEMBL4452312) Show SMILES COc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19ClN2O5S/c1-28-18-8-3-2-5-14(18)11-21(25)24-16-9-10-19(20(13-16)30(23,26)27)29-17-7-4-6-15(22)12-17/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506173 (CHEMBL4589444) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCC1 Show InChI InChI=1S/C19H21ClN2O4S/c20-16-7-2-1-6-14(16)10-19(23)22-15-8-9-17(18(11-15)27(21,24)25)26-12-13-4-3-5-13/h1-2,6-9,11,13H,3-5,10,12H2,(H,22,23)(H2,21,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506179 (CHEMBL4579583) Show SMILES COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1 Show InChI InChI=1S/C21H19ClN2O5S/c1-28-16-6-4-7-17(13-16)29-19-10-9-15(12-20(19)30(23,26)27)24-21(25)11-14-5-2-3-8-18(14)22/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506184 (CHEMBL4447043) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C20H15Cl2FN2O4S/c21-12-3-1-4-14(9-12)29-18-8-7-13(10-19(18)30(24,27)28)25-20(26)11-15-16(22)5-2-6-17(15)23/h1-10H,11H2,(H,25,26)(H2,24,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506180 (CHEMBL4556573) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1 Show InChI InChI=1S/C20H17ClN2O4S/c21-17-9-5-4-6-14(17)12-20(24)23-15-10-11-18(19(13-15)28(22,25)26)27-16-7-2-1-3-8-16/h1-11,13H,12H2,(H,23,24)(H2,22,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506187 (CHEMBL4522504) Show SMILES Cc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19ClN2O4S/c1-14-5-2-3-6-15(14)11-21(25)24-17-9-10-19(20(13-17)29(23,26)27)28-18-8-4-7-16(22)12-18/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506178 (CHEMBL4555657) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1OCC1CCOCC1 Show InChI InChI=1S/C20H22ClFN2O5S/c21-16-2-1-3-17(22)15(16)11-20(25)24-14-4-5-18(19(10-14)30(23,26)27)29-12-13-6-8-28-9-7-13/h1-5,10,13H,6-9,11-12H2,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506201 (CHEMBL4516176) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1Cl Show InChI InChI=1S/C20H16Cl2N2O4S/c21-15-6-2-1-5-13(15)11-20(25)24-14-9-10-18(19(12-14)29(23,26)27)28-17-8-4-3-7-16(17)22/h1-10,12H,11H2,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506183 (CHEMBL4521017) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C20H15Cl3N2O4S/c21-12-3-1-4-14(9-12)29-18-8-7-13(10-19(18)30(24,27)28)25-20(26)11-15-16(22)5-2-6-17(15)23/h1-10H,11H2,(H,25,26)(H2,24,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506172 (CHEMBL4563994) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1 Show InChI InChI=1S/C22H21ClN2O4S/c23-19-9-5-4-8-17(19)14-22(26)25-18-10-11-20(21(15-18)30(24,27)28)29-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,25,26)(H2,24,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506185 (CHEMBL4438327) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClF3N2O4S/c22-14-5-3-6-16(11-14)31-18-9-8-15(12-19(18)32(26,29)30)27-20(28)10-13-4-1-2-7-17(13)21(23,24)25/h1-9,11-12H,10H2,(H,27,28)(H2,26,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366072 (5-[4-[5-(2-Methoxybenzyl)-1H-tetrazol-1-yl]phenyl]...) Show SMILES COc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C28H22N6O3/c1-37-24-9-5-3-7-19(24)16-25-30-31-32-34(25)21-13-11-20(12-14-21)33-23-15-10-18-6-2-4-8-22(18)28(23)29-26(35)17-27(33)36/h2-15H,16-17H2,1H3,(H,29,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506191 (CHEMBL4439570) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1 Show InChI InChI=1S/C20H18ClN3O4S/c21-17-7-2-1-5-14(17)11-20(25)24-15-8-9-18(19(12-15)29(22,26)27)28-13-16-6-3-4-10-23-16/h1-10,12H,11,13H2,(H,24,25)(H2,22,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506169 (CHEMBL4535761) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cncc(Cl)c1 Show InChI InChI=1S/C19H15Cl2N3O4S/c20-13-8-15(11-23-10-13)28-17-6-5-14(9-18(17)29(22,26)27)24-19(25)7-12-3-1-2-4-16(12)21/h1-6,8-11H,7H2,(H,24,25)(H2,22,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506162 (CHEMBL4463320) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C23H18ClN3O4S2/c24-19-4-2-1-3-16(19)13-22(28)27-17-7-10-20(21(14-17)33(25,29)30)31-18-8-5-15(6-9-18)23-26-11-12-32-23/h1-12,14H,13H2,(H,27,28)(H2,25,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506157 (CHEMBL4517831) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccc1OCC1CCOCC1 Show InChI InChI=1S/C20H22ClFN2O5S/c21-20-14(2-1-3-16(20)22)10-19(25)24-15-4-5-17(18(11-15)30(23,26)27)29-12-13-6-8-28-9-7-13/h1-5,11,13H,6-10,12H2,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366073 (5-[4-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]phenyl]...) Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C27H20N6O3/c34-23-8-4-2-6-18(23)15-24-29-30-31-33(24)20-12-10-19(11-13-20)32-22-14-9-17-5-1-3-7-21(17)27(22)28-25(35)16-26(32)36/h1-14,34H,15-16H2,(H,28,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366069 (US9873683, Example 79) Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C29H25FN4O2/c30-21-5-1-3-19(17-21)7-14-26-31-15-16-33(26)22-9-11-23(12-10-22)34-25-13-8-20-4-2-6-24(20)29(25)32-27(35)18-28(34)36/h1,3,5,8-13,15-17H,2,4,6-7,14,18H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506198 (CHEMBL4539658) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OC1CCCCC1 Show InChI InChI=1S/C20H23ClN2O4S/c21-17-9-5-4-6-14(17)12-20(24)23-15-10-11-18(19(13-15)28(22,25)26)27-16-7-2-1-3-8-16/h4-6,9-11,13,16H,1-3,7-8,12H2,(H,23,24)(H2,22,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50598326 (CHEMBL5206892) Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114491 BindingDB Entry DOI: 10.7270/Q2BG2T1P
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50596624 (CHEMBL5204261) Show SMILES CC(C)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114162 BindingDB Entry DOI: 10.7270/Q2S46X0K
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...				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 4 (Homo sapiens (Human))	BDBM366075 (5-[4-(5-Phenethyl-1H-tetrazol-1-yl)phenyl]-1H-naph...) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C28H22N6O2/c35-26-18-27(36)33(24-16-11-20-8-4-5-9-23(20)28(24)29-26)21-12-14-22(15-13-21)34-25(30-31-32-34)17-10-19-6-2-1-3-7-19/h1-9,11-16H,10,17-18H2,(H,29,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506166 (CHEMBL4474747) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H24ClN3O6S/c26-21-7-2-1-4-17(21)15-24(30)28-19-8-9-22(23(16-19)36(27,32)33)35-20-6-3-5-18(14-20)25(31)29-10-12-34-13-11-29/h1-9,14,16H,10-13,15H2,(H,28,30)(H2,27,32,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...				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 4 (Homo sapiens (Human))	BDBM365870 (US9873683, Example 31) Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506204 (CHEMBL4443234) Show SMILES Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(c2)S(N)(=O)=O)c1 Show InChI InChI=1S/C21H19ClN2O4S/c1-14-4-2-5-15(10-14)11-21(25)24-17-8-9-19(20(13-17)29(23,26)27)28-18-7-3-6-16(22)12-18/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366062 (US9873683, Example 67) Show SMILES Fc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3CCCc3c2NC(=O)CC1=O Show InChI InChI=1S/C29H25FN4O2/c30-24-7-2-1-4-20(24)9-15-26-31-16-17-33(26)21-10-12-22(13-11-21)34-25-14-8-19-5-3-6-23(19)29(25)32-27(35)18-28(34)36/h1-2,4,7-8,10-14,16-17H,3,5-6,9,15,18H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366049 (US9873683, Example 43) Show SMILES Oc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-1-2-7-25(21)30(26)32-28(36)19-29(34)37/h1-7,9-14,16-18,35H,8,15,19H2,(H,32,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in HEK cells assessed as reduction in ATP induced calcium influx				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50598322 (CHEMBL5200114) Show SMILES FC(F)(F)c1ccc(Br)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1Br Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114491 BindingDB Entry DOI: 10.7270/Q2BG2T1P
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universita del Piemonte Orientale					Assay Description The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...				J Med Chem 52: 3001-9 (2009) BindingDB Entry DOI: 10.7270/Q2542QX3
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 15 min...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506195 (CHEMBL4438981) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)-n1cnnc1 Show InChI InChI=1S/C22H18ClN5O4S/c23-19-7-2-1-4-15(19)10-22(29)27-16-8-9-20(21(11-16)33(24,30)31)32-18-6-3-5-17(12-18)28-13-25-26-14-28/h1-9,11-14H,10H2,(H,27,29)(H2,24,30,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM366057 (US9873683, Example 61) Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H28N4O3/c1-37-24-6-2-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-3-7-25(21)30(26)32-28(35)19-29(34)36/h2,4,6,9-14,16-18H,3,5,7-8,15,19H2,1H3,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506163 (CHEMBL4561582) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(cc1)C1CCOC1 Show InChI InChI=1S/C24H23ClN2O5S/c25-21-4-2-1-3-17(21)13-24(28)27-19-7-10-22(23(14-19)33(26,29)30)32-20-8-5-16(6-9-20)18-11-12-31-15-18/h1-10,14,18H,11-13,15H2,(H,27,28)(H2,26,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins a...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair

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