Compile Data Set for Download or QSAR

Found 343 hits of ic50 for UniProtKB: Q99571   

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 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))	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))	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))	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))	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))	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))	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))	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))	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))	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	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))	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))	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
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50506154 (CHEMBL4516450) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C20H16ClFN2O4S/c21-14-5-3-6-16(11-14)28-18-9-8-15(12-19(18)29(23,26)27)24-20(25)10-13-4-1-2-7-17(13)22/h1-9,11-12H,10H2,(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	76	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))	BDBM366078 (5-[6-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]pyridin...) Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cn1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H19N7O3/c34-21-8-4-2-6-17(21)13-23-29-30-31-33(23)22-12-10-18(15-27-22)32-20-11-9-16-5-1-3-7-19(16)26(20)28-24(35)14-25(32)36/h1-12,15,34H,13-14H2,(H,28,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	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))	BDBM366077 (5-[4-(2-Phenethyl-1H-imidazol-1-yl)phenyl]-1H-naph...) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C30H24N4O2/c35-28-20-29(36)34(26-16-11-22-8-4-5-9-25(22)30(26)32-28)24-14-12-23(13-15-24)33-19-18-31-27(33)17-10-21-6-2-1-3-7-21/h1-9,11-16,18-19H,10,17,20H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	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))	BDBM365827 (US9873683, Example 27) Show SMILES Oc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)14-16-33-17-15-31-30(33)22-8-11-23(12-9-22)34-26-13-10-21-5-1-2-7-25(21)29(26)32-27(36)19-28(34)37/h1-13,15,17-18,35H,14,16,19H2,(H,32,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	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))	BDBM365950 (US9873683, Example 37) Show SMILES Cc1cccc(C)c1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C32H28N4O2/c1-21-6-5-7-22(2)26(21)15-17-29-33-18-19-35(29)24-11-13-25(14-12-24)36-28-16-10-23-8-3-4-9-27(23)32(28)34-30(37)20-31(36)38/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,34,37)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79	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))	BDBM365816 (US9873683, Example 25) Show SMILES COc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C31H26N4O3/c1-38-25-7-4-5-21(19-25)15-17-34-18-16-32-31(34)23-9-12-24(13-10-23)35-27-14-11-22-6-2-3-8-26(22)30(27)33-28(36)20-29(35)37/h2-14,16,18-19H,15,17,20H2,1H3,(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82	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))	BDBM50506177 (CHEMBL4452251) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1OCC1CCOCC1 Show InChI InChI=1S/C20H22ClFN2O5S/c21-17-3-1-15(22)9-14(17)10-20(25)24-16-2-4-18(19(11-16)30(23,26)27)29-12-13-5-7-28-8-6-13/h1-4,9,11,13H,5-8,10,12H2,(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	84	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))	BDBM366071 (US9873683, Example 83) Show SMILES COc1c(F)cccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C31H25FN4O3/c1-39-31-21(6-4-8-25(31)32)10-16-27-33-17-18-35(27)22-11-13-23(14-12-22)36-26-15-9-20-5-2-3-7-24(20)30(26)34-28(37)19-29(36)38/h2-9,11-15,17-18H,10,16,19H2,1H3,(H,34,37)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	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))	BDBM50506175 (CHEMBL4519162) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1OCC1CCOCC1 Show InChI InChI=1S/C21H23F3N2O5S/c22-21(23,24)17-4-2-1-3-15(17)11-20(27)26-16-5-6-18(19(12-16)32(25,28)29)31-13-14-7-9-30-10-8-14/h1-6,12,14H,7-11,13H2,(H,26,27)(H2,25,28,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	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))	BDBM366058 (US9873683, Example 62) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccsc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C28H22N4O2S/c33-26-17-27(34)32(24-11-6-20-3-1-2-4-23(20)28(24)30-26)22-9-7-21(8-10-22)31-15-14-29-25(31)12-5-19-13-16-35-18-19/h1-4,6-11,13-16,18H,5,12,17H2,(H,30,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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))	BDBM365756 (US9873683, Example 22) Show SMILES O=C1CC(=O)N(c2ccc(cc2)-c2nccn2CCc2ccccc2)c2ccc3ccccc3c2N1 Show InChI InChI=1S/C30H24N4O2/c35-27-20-28(36)34(26-15-12-22-8-4-5-9-25(22)29(26)32-27)24-13-10-23(11-14-24)30-31-17-19-33(30)18-16-21-6-2-1-3-7-21/h1-15,17,19H,16,18,20H2,(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	91	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))	BDBM50506186 (CHEMBL4449416) Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C20H16Cl2N2O4S/c21-14-5-3-6-16(11-14)28-18-9-8-15(12-19(18)29(23,26)27)24-20(25)10-13-4-1-2-7-17(13)22/h1-9,11-12H,10H2,(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	92	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))	BDBM366048 (US9873683, Example 42) Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1 Show InChI InChI=1S/C31H26N4O3/c1-38-25-7-4-5-21(19-25)9-16-28-32-17-18-34(28)23-11-13-24(14-12-23)35-27-15-10-22-6-2-3-8-26(22)31(27)33-29(36)20-30(35)37/h2-8,10-15,17-19H,9,16,20H2,1H3,(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	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

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