Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'williams' and Initial = 'dr'   

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))	BDBM50075473 (CHEMBL3415305) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25| Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
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 expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075473 (CHEMBL3415305) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25| Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536405 (CHEMBL4521847) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H28N4O6S2/c1-42(37,38)27-11-7-23(8-12-27)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-9-26(10-6-22)41-43(39,40)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536370 (CHEMBL4582650) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536370 (CHEMBL4582650) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C33H35N5O5S/c1-36(2)27-12-6-24(7-13-27)33(40)37-18-16-28(17-19-37)38-22-34-21-31(38)23-8-14-29(15-9-23)43-44(41,42)30-5-3-4-25(20-30)32(39)35-26-10-11-26/h3-9,12-15,20-22,26,28H,10-11,16-19H2,1-2H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536383 (CHEMBL4584526) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C30H25N5O6S/c36-30(22-4-8-25(9-5-22)35(37)38)33-16-13-24(14-17-33)34-20-32-19-28(34)21-6-10-26(11-7-21)41-42(39,40)29-3-1-2-23-18-31-15-12-27(23)29/h1-12,15,18-20,24H,13-14,16-17H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536367 (CHEMBL4560935) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C30H26ClF3N4O5S/c1-35-28(39)20-3-2-4-24(15-20)44(41,42)43-23-8-5-19(6-9-23)27-17-36-18-38(27)22-11-13-37(14-12-22)29(40)21-7-10-26(31)25(16-21)30(32,33)34/h2-10,15-18,22H,11-14H2,1H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
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	2.20	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					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				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536366 (CHEMBL4529050) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C29H22ClF3N4O4S/c30-26-9-6-21(15-25(26)29(31,32)33)28(38)36-12-10-22(11-13-36)37-18-35-17-27(37)20-4-7-23(8-5-20)41-42(39,40)24-3-1-2-19(14-24)16-34/h1-9,14-15,17-18,22H,10-13H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536406 (CHEMBL4573595) Show SMILES CC(C)(O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N4O5S/c1-33(2,39)26-10-6-24(7-11-26)32(38)36-18-15-27(16-19-36)37-22-35-21-30(37)23-8-12-28(13-9-23)42-43(40,41)31-5-3-4-25-20-34-17-14-29(25)31/h3-14,17,20-22,27,39H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50546117 (CHEMBL4763626) Show SMILES Cl.NCCO\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GSK3beta (unknown origin) using PASVPPSPSLSRHSSPHQpSED as substrate preincubated for 10 mins followed by substrate addition and measure...				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.025 BindingDB Entry DOI: 10.7270/Q2WS8XTK
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536402 (CHEMBL4594110) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C29H26N4O6S2/c1-40(35,36)23-8-5-20(6-9-23)29(34)33-15-12-19(13-16-33)28-31-25-10-7-22(17-26(25)32-28)39-41(37,38)27-4-2-3-21-18-30-14-11-24(21)27/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536383 (CHEMBL4584526) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C30H25N5O6S/c36-30(22-4-8-25(9-5-22)35(37)38)33-16-13-24(14-17-33)34-20-32-19-28(34)21-6-10-26(11-7-21)41-42(39,40)29-3-1-2-23-18-31-15-12-27(23)29/h1-12,15,18-20,24H,13-14,16-17H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075473 (CHEMBL3415305) Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:29:20:27:23.24.25,THB:25:24:21:27.26.28,25:26:23.24.29:21,29:24:27:20.21.28,19:20:27:23.24.25| Show InChI InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536369 (CHEMBL4531777) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C30H29N5O4S/c1-33(2)25-10-6-24(7-11-25)30(36)34-16-14-26(15-17-34)35-21-32-20-29(35)23-8-12-27(13-9-23)39-40(37,38)28-5-3-4-22(18-28)19-31/h3-13,18,20-21,26H,14-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536365 (CHEMBL4542014) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C28H23N5O6S/c34-28(19-4-6-21(7-5-19)33(35)36)32-14-11-18(12-15-32)27-30-24-9-8-22(16-25(24)31-27)39-40(37,38)26-3-1-2-20-17-29-13-10-23(20)26/h1-10,13,16-18H,11-12,14-15H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536395 (CHEMBL4570660) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C28H23N5O6S/c29-17-20-2-1-3-26(16-20)40(37,38)39-25-10-6-21(7-11-25)27-18-30-19-32(27)23-12-14-31(15-13-23)28(34)22-4-8-24(9-5-22)33(35)36/h1-11,16,18-19,23H,12-15H2	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536365 (CHEMBL4542014) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C28H23N5O6S/c34-28(19-4-6-21(7-5-19)33(35)36)32-14-11-18(12-15-32)27-30-24-9-8-22(16-25(24)31-27)39-40(37,38)26-3-1-2-20-17-29-13-10-23(20)26/h1-10,13,16-18H,11-12,14-15H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536364 (CHEMBL4526937) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H33N5O5S/c1-32-30(37)24-5-4-6-28(19-24)42(39,40)41-27-13-9-22(10-14-27)29-20-33-21-36(29)26-15-17-35(18-16-26)31(38)23-7-11-25(12-8-23)34(2)3/h4-14,19-21,26H,15-18H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536372 (CHEMBL4559257) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H24ClF3N4O4S/c32-27-9-6-21(16-26(27)31(33,34)35)30(40)38-14-11-23(12-15-38)39-19-37-18-28(39)20-4-7-24(8-5-20)43-44(41,42)29-3-1-2-22-17-36-13-10-25(22)29/h1-10,13,16-19,23H,11-12,14-15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536364 (CHEMBL4526937) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H33N5O5S/c1-32-30(37)24-5-4-6-28(19-24)42(39,40)41-27-13-9-22(10-14-27)29-20-33-21-36(29)26-15-17-35(18-16-26)31(38)23-7-11-25(12-8-23)34(2)3/h4-14,19-21,26H,15-18H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536405 (CHEMBL4521847) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H28N4O6S2/c1-42(37,38)27-11-7-23(8-12-27)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-9-26(10-6-22)41-43(39,40)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536388 (CHEMBL4585050) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C29H27N5O7S/c1-30-28(35)22-3-2-4-26(17-22)42(39,40)41-25-11-7-20(8-12-25)27-18-31-19-33(27)23-13-15-32(16-14-23)29(36)21-5-9-24(10-6-21)34(37)38/h2-12,17-19,23H,13-16H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536392 (CHEMBL4534068) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26N6O8S/c38-28-18-29(34-14-16-35(17-15-34)30(39)22-6-8-24(9-7-22)37(41)42)36(31(40)33-28)20-21-4-10-25(11-5-21)45-46(43,44)27-3-1-2-23-19-32-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,33,38,40)	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536373 (CHEMBL4592534) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C29H22ClF3N4O4S/c30-23-6-4-18(14-22(23)29(31,32)33)28(38)37-12-9-17(10-13-37)27-35-24-7-5-20(15-25(24)36-27)41-42(39,40)26-3-1-2-19-16-34-11-8-21(19)26/h1-8,11,14-17H,9-10,12-13H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536392 (CHEMBL4534068) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26N6O8S/c38-28-18-29(34-14-16-35(17-15-34)30(39)22-6-8-24(9-7-22)37(41)42)36(31(40)33-28)20-21-4-10-25(11-5-21)45-46(43,44)27-3-1-2-23-19-32-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,33,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536369 (CHEMBL4531777) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C30H29N5O4S/c1-33(2)25-10-6-24(7-11-25)30(36)34-16-14-26(15-17-34)35-21-32-20-29(35)23-8-12-27(13-9-23)39-40(37,38)28-5-3-4-22(18-28)19-31/h3-13,18,20-21,26H,14-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536384 (CHEMBL4586600) Show SMILES CC(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N4O4S/c1-23(2)24-6-8-26(9-7-24)33(38)36-18-15-28(16-19-36)37-22-35-21-31(37)25-10-12-29(13-11-25)41-42(39,40)32-5-3-4-27-20-34-17-14-30(27)32/h3-14,17,20-23,28H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536394 (CHEMBL4529842) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C30H29N5O4S/c1-34(2)23-8-6-21(7-9-23)30(36)35-16-13-20(14-17-35)29-32-26-11-10-24(18-27(26)33-29)39-40(37,38)28-5-3-4-22-19-31-15-12-25(22)28/h3-12,15,18-20H,13-14,16-17H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536402 (CHEMBL4594110) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1 Show InChI InChI=1S/C29H26N4O6S2/c1-40(35,36)23-8-5-20(6-9-23)29(34)33-15-12-19(13-16-33)28-31-25-10-7-22(17-26(25)32-28)39-41(37,38)27-4-2-3-21-18-30-14-11-24(21)27/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536399 (CHEMBL4582804) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H29N5O8S2/c1-46(41,42)26-11-7-23(8-12-26)31(39)36-17-15-35(16-18-36)30-19-29(38)34-32(40)37(30)21-22-5-9-25(10-6-22)45-47(43,44)28-4-2-3-24-20-33-14-13-27(24)28/h2-14,19-20H,15-18,21H2,1H3,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536395 (CHEMBL4570660) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C28H23N5O6S/c29-17-20-2-1-3-26(16-20)40(37,38)39-25-10-6-21(7-11-25)27-18-30-19-32(27)23-12-14-31(15-13-23)28(34)22-4-8-24(9-5-22)33(35)36/h1-11,16,18-19,23H,12-15H2	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536372 (CHEMBL4559257) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H24ClF3N4O4S/c32-27-9-6-21(16-26(27)31(33,34)35)30(40)38-14-11-23(12-15-38)39-19-37-18-28(39)20-4-7-24(8-5-20)43-44(41,42)29-3-1-2-22-17-36-13-10-25(22)29/h1-10,13,16-19,23H,11-12,14-15H2	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536399 (CHEMBL4582804) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H29N5O8S2/c1-46(41,42)26-11-7-23(8-12-26)31(39)36-17-15-35(16-18-36)30-19-29(38)34-32(40)37(30)21-22-5-9-25(10-6-22)45-47(43,44)28-4-2-3-24-20-33-14-13-27(24)28/h2-14,19-20H,15-18,21H2,1H3,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536371 (CHEMBL4535840) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3ccncc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-6-8-30-26-39-20-18-33(30)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)37-12-5-7-29-17-19-40-27-34(29)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536384 (CHEMBL4586600) Show SMILES CC(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N4O4S/c1-23(2)24-6-8-26(9-7-24)33(38)36-18-15-28(16-19-36)37-22-35-21-31(37)25-10-12-29(13-11-25)41-42(39,40)32-5-3-4-27-20-34-17-14-30(27)32/h3-14,17,20-23,28H,15-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536380 (CHEMBL4536033) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C32H28ClF3N4O5S/c33-28-11-6-22(17-27(28)32(34,35)36)31(42)39-14-12-24(13-15-39)40-19-37-18-29(40)20-4-9-25(10-5-20)45-46(43,44)26-3-1-2-21(16-26)30(41)38-23-7-8-23/h1-6,9-11,16-19,23-24H,7-8,12-15H2,(H,38,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	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 LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536388 (CHEMBL4585050) Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C29H27N5O7S/c1-30-28(35)22-3-2-4-26(17-22)42(39,40)41-25-11-7-20(8-12-25)27-18-31-19-33(27)23-13-15-32(16-14-23)29(36)21-5-9-24(10-6-21)34(37)38/h2-12,17-19,23H,13-16H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536400 (CHEMBL4513283) Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H28N4O5S/c1-39-26-9-7-23(8-10-26)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-11-27(12-6-22)40-41(37,38)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt 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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536366 (CHEMBL4529050) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C29H22ClF3N4O4S/c30-26-9-6-21(15-25(26)29(31,32)33)28(38)36-12-10-22(11-13-36)37-18-35-17-27(37)20-4-7-23(8-5-20)41-42(39,40)24-3-1-2-19(14-24)16-34/h1-9,14-15,17-18,22H,10-13H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536400 (CHEMBL4513283) Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H28N4O5S/c1-39-26-9-7-23(8-10-26)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-11-27(12-6-22)40-41(37,38)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50536380 (CHEMBL4536033) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C32H28ClF3N4O5S/c33-28-11-6-22(17-27(28)32(34,35)36)31(42)39-14-12-24(13-15-39)40-19-37-18-29(40)20-4-9-25(10-5-20)45-46(43,44)26-3-1-2-21(16-26)30(41)38-23-7-8-23/h1-6,9-11,16-19,23-24H,7-8,12-15H2,(H,38,41)	PDB KEGG UniProtKB/SwissProt 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
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 measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 BindingDB Entry DOI: 10.7270/Q2BC431Q
					More data for this Ligand-Target Pair

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