Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50001812   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370300 (CHEMBL4165149) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H31N5O4S/c1-35(2)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-34-21-30(37)23-8-12-28(13-9-23)41-42(39,40)31-5-3-4-25-20-33-17-14-29(25)31/h3-14,17,20-22,27H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370240 (CHEMBL4171354) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370240 (CHEMBL4171354) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370186 (CHEMBL4159914) Show SMILES OCc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c31-17-18-4-6-22(7-5-18)24-9-8-23-25(29-24)2-1-3-26(23)30-27(32)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h1-9,19-21,31H,10-17H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370240 (CHEMBL4171354) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50352039 (CHEMBL1823817) Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370305 (CHEMBL4175875) Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370309 (CHEMBL4175330) Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H28N2O2/c30-21-6-4-20(5-7-21)23-9-8-22-24(28-23)2-1-3-25(22)29-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,30H,10-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370305 (CHEMBL4175875) Show SMILES Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16| Show InChI InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370310 (CHEMBL4159289) Show SMILES COC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C29H30N2O3/c1-34-28(33)22-7-5-21(6-8-22)24-10-9-23-25(30-24)3-2-4-26(23)31-27(32)17-29-14-18-11-19(15-29)13-20(12-18)16-29/h2-10,18-20H,11-17H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370309 (CHEMBL4175330) Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H28N2O2/c30-21-6-4-20(5-7-21)23-9-8-22-24(28-23)2-1-3-25(22)29-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,30H,10-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370308 (CHEMBL4169592) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C28H28N2O3/c31-26(16-28-13-17-10-18(14-28)12-19(11-17)15-28)30-25-3-1-2-24-22(25)8-9-23(29-24)20-4-6-21(7-5-20)27(32)33/h1-9,17-19H,10-16H2,(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370240 (CHEMBL4171354) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370307 (CHEMBL4163225) Show SMILES Nc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H29N3O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16,28H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370186 (CHEMBL4159914) Show SMILES OCc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c31-17-18-4-6-22(7-5-18)24-9-8-23-25(29-24)2-1-3-26(23)30-27(32)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h1-9,19-21,31H,10-17H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386566 (CHEMBL2048438) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNc1c(Cl)cncc1Cl |TLB:12:9:4:2.7.1,7:1:4.5.8:10,0:1:4:8.9.10,THB:7:5:10:2.1.11,6:5:10:2.1.11,11:1:4:8.9.10,11:9:4:2.7.1| Show InChI InChI=1S/C18H23Cl2N3O/c1-16-3-11-4-17(2,8-16)10-18(5-11,9-16)15(24)23-22-14-12(19)6-21-7-13(14)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370238 (CHEMBL4159276) Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370307 (CHEMBL4163225) Show SMILES Nc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H29N3O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16,28H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370308 (CHEMBL4169592) Show SMILES OC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C28H28N2O3/c31-26(16-28-13-17-10-18(14-28)12-19(11-17)15-28)30-25-3-1-2-24-22(25)8-9-23(29-24)20-4-6-21(7-5-20)27(32)33/h1-9,17-19H,10-16H2,(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370238 (CHEMBL4159276) Show SMILES COc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C28H30N2O2/c1-32-22-7-5-21(6-8-22)24-10-9-23-25(29-24)3-2-4-26(23)30-27(31)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h2-10,18-20H,11-17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370310 (CHEMBL4159289) Show SMILES COC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C29H30N2O3/c1-34-28(33)22-7-5-21(6-8-22)24-10-9-23-25(30-24)3-2-4-26(23)31-27(32)17-29-14-18-11-19(15-29)13-20(12-18)16-29/h2-10,18-20H,11-17H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370298 (CHEMBL4173050) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)C1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C33H27ClF3N3O6S/c34-27-9-6-21(17-26(27)33(35,36)37)32(43)40-14-11-20(12-15-40)29-25(30(41)39-31(29)42)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-22-18-38-13-10-24(22)28/h1-10,13,17-18,20,25,29H,11-12,14-16H2,(H,39,41,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370295 (CHEMBL4174081) Show SMILES CCOC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O |THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18| Show InChI InChI=1S/C31H34N2O5/c1-3-38-29(35)25-14-24-26(32-30(36)31-15-20-11-21(16-31)13-22(12-20)17-31)5-4-6-27(24)33(28(25)34)18-19-7-9-23(37-2)10-8-19/h4-10,14,20-22H,3,11-13,15-18H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370296 (CHEMBL4176511) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C27H27N3O3/c31-26(16-27-13-17-10-18(14-27)12-19(11-17)15-27)29-25-3-1-2-24-22(25)8-9-23(28-24)20-4-6-21(7-5-20)30(32)33/h1-9,17-19H,10-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370299 (CHEMBL4169645) Show SMILES N[C@H]1CCN(Cc2ccc(Cl)c(c2)C(=O)NCC2C3CC4CC(C3)CC2C4)C1 |r,wU:1.0,TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(18.99,-10.68,;17.45,-10.69,;16.69,-12.03,;15.18,-11.72,;15,-10.2,;13.66,-9.44,;13.64,-7.9,;14.97,-7.12,;14.95,-5.57,;13.6,-4.82,;13.58,-3.28,;12.29,-5.61,;12.3,-7.15,;10.95,-4.85,;10.93,-3.31,;9.63,-5.64,;8.28,-4.88,;6.96,-5.67,;6.95,-7.21,;5.54,-7.55,;4.21,-7.06,;3.01,-8.35,;4.52,-7.93,;5.93,-8.49,;4.52,-6.33,;5.56,-5.09,;4.2,-5.57,;16.4,-9.55,)| Show InChI InChI=1S/C23H32ClN3O/c24-22-2-1-14(12-27-4-3-19(25)13-27)10-20(22)23(28)26-11-21-17-6-15-5-16(8-17)9-18(21)7-15/h1-2,10,15-19,21H,3-9,11-13,25H2,(H,26,28)/t15?,16?,17?,18?,19-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370296 (CHEMBL4176511) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C27H27N3O3/c31-26(16-27-13-17-10-18(14-27)12-19(11-17)15-27)29-25-3-1-2-24-22(25)8-9-23(28-24)20-4-6-21(7-5-20)30(32)33/h1-9,17-19H,10-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370312 (CHEMBL4163482) Show SMILES COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C30H32N2O5/c1-36-22-8-6-18(7-9-22)17-32-26-5-3-4-25(23(26)13-24(27(32)33)28(34)37-2)31-29(35)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,13,19-21H,10-12,14-17H2,1-2H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370184 (CHEMBL4165201) Show SMILES Clc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H27ClN2O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087267 ((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370184 (CHEMBL4165201) Show SMILES Clc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C27H27ClN2O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370313 (CHEMBL4166158) Show SMILES CCCOC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C32H36N2O5/c1-3-11-39-30(36)26-15-25-27(33-31(37)32-16-21-12-22(17-32)14-23(13-21)18-32)5-4-6-28(25)34(29(26)35)19-20-7-9-24(38-2)10-8-20/h4-10,15,21-23H,3,11-14,16-19H2,1-2H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50410955 (A-438079 | CHEMBL377219) Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370306 (CHEMBL4160756) Show SMILES Clc1ccc2c(NC(=O)CC3CCCCC3)cccc2n1 Show InChI InChI=1S/C17H19ClN2O/c18-16-10-9-13-14(19-16)7-4-8-15(13)20-17(21)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 s...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370306 (CHEMBL4160756) Show SMILES Clc1ccc2c(NC(=O)CC3CCCCC3)cccc2n1 Show InChI InChI=1S/C17H19ClN2O/c18-16-10-9-13-14(19-16)7-4-8-15(13)20-17(21)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370185 (CHEMBL4167190) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(ccc12)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C27H28N2O/c30-26(17-27-14-18-11-19(15-27)13-20(12-18)16-27)29-25-8-4-7-24-22(25)9-10-23(28-24)21-5-2-1-3-6-21/h1-10,18-20H,11-17H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370185 (CHEMBL4167190) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(ccc12)-c1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C27H28N2O/c30-26(17-27-14-18-11-19(15-27)13-20(12-18)16-27)29-25-8-4-7-24-22(25)9-10-23(28-24)21-5-2-1-3-6-21/h1-10,18-20H,11-17H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50370297 (CHEMBL4160315) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#7]-c3cc(cc(c3)-[#6](=O)-[#7]-c3ccc(cc3)S([#8-])(=O)=O)-[#6](=O)-[#7]-c3ccc(cc3)S([#8-])(=O)=O)cc(c2)-[#6](=O)-[#7]-c2ccc(cc2)S([#8-])(=O)=O)cc1 Show InChI InChI=1S/C41H32N6O17S4/c48-37(42-27-1-9-33(10-2-27)65(53,54)55)23-17-24(38(49)43-28-3-11-34(12-4-28)66(56,57)58)20-31(19-23)46-41(52)47-32-21-25(39(50)44-29-5-13-35(14-6-29)67(59,60)61)18-26(22-32)40(51)45-30-7-15-36(16-8-30)68(62,63)64/h1-22H,(H,42,48)(H,43,49)(H,44,50)(H,45,51)(H2,46,47,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/p-4	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X3 receptor in rat DRG neurons at -70 mV holding potential by whole cell patch clamp method				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399207 (CHEMBL2180179) Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in CHO cells				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (RAT)	BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2	UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at wild type His6 tagged rat P2X1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of alphabeta-me ATP-induced...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X2 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 s...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370386 (CHEMBL4165462) Show SMILES COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(Cl)cc2)c1=O |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H29ClN2O4/c1-36-27(34)23-12-22-24(31-28(35)29-13-18-9-19(14-29)11-20(10-18)15-29)3-2-4-25(22)32(26(23)33)16-17-5-7-21(30)8-6-17/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	723	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370315 (CHEMBL4167664) Show SMILES COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(cc2)[N+]([O-])=O)c1=O |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H29N3O6/c1-38-27(34)23-12-22-24(30-28(35)29-13-18-9-19(14-29)11-20(10-18)15-29)3-2-4-25(22)31(26(23)33)16-17-5-7-21(8-6-17)32(36)37/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	809	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370189 (CHEMBL4160432) Show SMILES COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(Br)cc2)c1=O |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H29BrN2O4/c1-36-27(34)23-12-22-24(31-28(35)29-13-18-9-19(14-29)11-20(10-18)15-29)3-2-4-25(22)32(26(23)33)16-17-5-7-21(30)8-6-17/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370302 (CHEMBL4173785) Show SMILES COC(=O)c1cc2c(NC(=O)C3CCCCC3)cccc2n(Cc2ccc(OC)cc2)c1=O Show InChI InChI=1S/C26H28N2O5/c1-32-19-13-11-17(12-14-19)16-28-23-10-6-9-22(27-24(29)18-7-4-3-5-8-18)20(23)15-21(25(28)30)26(31)33-2/h6,9-15,18H,3-5,7-8,16H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370242 (CHEMBL4175781) Show SMILES COC(=O)c1cc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O |THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18| Show InChI InChI=1S/C31H34N2O5/c1-37-23-8-6-19(7-9-23)18-33-27-5-3-4-26(24(27)13-25(29(33)35)30(36)38-2)32-28(34)17-31-14-20-10-21(15-31)12-22(11-20)16-31/h3-9,13,20-22H,10-12,14-18H2,1-2H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	861	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370301 (CHEMBL4165858) Show SMILES COC(=O)c1cc2c(NC(=O)CC3CCCCC3)cccc2n(Cc2ccc(OC)cc2)c1=O Show InChI InChI=1S/C27H30N2O5/c1-33-20-13-11-19(12-14-20)17-29-24-10-6-9-23(21(24)16-22(26(29)31)27(32)34-2)28-25(30)15-18-7-4-3-5-8-18/h6,9-14,16,18H,3-5,7-8,15,17H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	875	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50370304 (CHEMBL4176067) Show SMILES COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(F)cc2)c1=O |THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C29H29FN2O4/c1-36-27(34)23-12-22-24(31-28(35)29-13-18-9-19(14-29)11-20(10-18)15-29)3-2-4-25(22)32(26(23)33)16-17-5-7-21(30)8-6-17/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	888	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ...				Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB
					More data for this Ligand-Target Pair

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