Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'falzoni' and Initial = 's'   

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))	BDBM50126727 ((S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(N-m...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34FN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126713 (CHEMBL282173 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34N6O8S2/c1-41(53(48,49)36-6-2-4-28-25-39-18-16-33(28)36)35(38(45)43-22-20-42(21-23-43)30-10-12-31(13-11-30)44(46)47)24-27-8-14-32(15-9-27)52-54(50,51)37-7-3-5-29-26-40-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126702 (CHEMBL282807 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H36FN5O6S2/c1-43(52(47,48)37-6-2-4-30-25-41-18-16-34(30)37)36(39(46)45-22-20-44(21-23-45)27-29-8-12-32(40)13-9-29)24-28-10-14-33(15-11-28)51-53(49,50)38-7-3-5-31-26-42-19-17-35(31)38/h2-19,25-26,36H,20-24,27H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126705 ((S)-4-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-(iso...) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C37H32FN5O6S2/c38-29-9-11-30(12-10-29)42-19-21-43(22-20-42)37(44)34(41-50(45,46)35-5-1-3-27-24-39-17-15-32(27)35)23-26-7-13-31(14-8-26)49-51(47,48)36-6-2-4-28-25-40-18-16-33(28)36/h1-18,24-25,34,41H,19-23H2/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126703 (CHEMBL27051 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H36N6O8S2/c1-42(54(49,50)37-6-2-4-30-25-40-18-16-34(30)37)36(39(46)44-22-20-43(21-23-44)27-29-8-12-32(13-9-29)45(47)48)24-28-10-14-33(15-11-28)53-55(51,52)38-7-3-5-31-26-41-19-17-35(31)38/h2-19,25-26,36H,20-24,27H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					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	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated against P2X purinoceptor 7				Bioorg Med Chem Lett 10: 681-4 (2000) BindingDB Entry DOI: 10.7270/Q26M3626
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126715 (CHEMBL27837 | Isoquinoline-5-sulfonic acid 4-[(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-28-9-13-32(14-10-28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-7-3-5-30-26-40-19-17-34(30)37)25-29-11-15-33(16-12-29)50-52(48,49)38-8-4-6-31-27-41-20-18-35(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126723 ((S)-4-(3-(4-(3-chlorophenyl)piperazin-1-yl)-2-(N-m...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-9-2-5-28-25-40-17-15-33(28)36)35(38(45)44-21-19-43(20-22-44)31-8-4-7-30(39)24-31)23-27-11-13-32(14-12-27)50-52(48,49)37-10-3-6-29-26-41-18-16-34(29)37/h2-18,24-26,35H,19-23H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126720 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-28-7-3-4-10-35(28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-11-5-8-30-26-40-19-17-33(30)37)25-29-13-15-32(16-14-29)50-52(48,49)38-12-6-9-31-27-41-20-18-34(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126718 ((S)-4-(3-(4-(2-chlorophenyl)piperazin-1-yl)-2-(N-m...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1Cl)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-10-4-6-28-25-40-18-16-31(28)36)35(38(45)44-22-20-43(21-23-44)34-9-3-2-8-33(34)39)24-27-12-14-30(15-13-27)50-52(48,49)37-11-5-7-29-26-41-19-17-32(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126722 (CHEMBL282553 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1F)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34FN5O6S2/c1-42(51(46,47)36-10-4-6-28-25-40-18-16-31(28)36)35(38(45)44-22-20-43(21-23-44)34-9-3-2-8-33(34)39)24-27-12-14-30(15-13-27)50-52(48,49)37-11-5-7-29-26-41-19-17-32(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126719 ((S)-4-(3-(4-benzylpiperazin-1-yl)-2-(N-methylisoqu...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O6S2/c1-42(51(46,47)37-11-5-9-31-26-40-19-17-34(31)37)36(39(45)44-23-21-43(22-24-44)28-30-7-3-2-4-8-30)25-29-13-15-33(16-14-29)50-52(48,49)38-12-6-10-32-27-41-20-18-35(32)38/h2-20,26-27,36H,21-25,28H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126728 (CHEMBL282334 | Isoquinoline-5-sulfonic acid 4-[(S)...) Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H35N5O6S2/c1-27-6-2-3-9-35(27)42-20-22-43(23-21-42)38(44)34(41-50(45,46)36-10-4-7-29-25-39-18-16-32(29)36)24-28-12-14-31(15-13-28)49-51(47,48)37-11-5-8-30-26-40-19-17-33(30)37/h2-19,25-26,34,41H,20-24H2,1H3/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126726 (CHEMBL282319 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H34F3N5O6S2/c1-45(54(49,50)36-9-2-5-28-25-43-17-15-33(28)36)35(38(48)47-21-19-46(20-22-47)31-8-4-7-30(24-31)39(40,41)42)23-27-11-13-32(14-12-27)53-55(51,52)37-10-3-6-29-26-44-18-16-34(29)37/h2-18,24-26,35H,19-23H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126712 (CHEMBL27711 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H33Cl2N5O6S2/c1-43(52(47,48)36-6-2-4-27-24-41-16-14-31(27)36)35(38(46)45-20-18-44(19-21-45)29-10-13-33(39)34(40)23-29)22-26-8-11-30(12-9-26)51-53(49,50)37-7-3-5-28-25-42-17-15-32(28)37/h2-17,23-25,35H,18-22H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					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	51	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126708 ((S)-4-(3-(4-benzylpiperidin-1-yl)-2-(N-methylisoqu...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H38N4O6S2/c1-43(51(46,47)38-11-5-9-32-27-41-21-17-35(32)38)37(40(45)44-23-19-31(20-24-44)25-29-7-3-2-4-8-29)26-30-13-15-34(16-14-30)50-52(48,49)39-12-6-10-33-28-42-22-18-36(33)39/h2-18,21-22,27-28,31,37H,19-20,23-26H2,1H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126724 (CHEMBL282808 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H37N5O7S2/c1-28(46)30-11-13-33(14-12-30)44-21-23-45(24-22-44)40(47)37(43(2)53(48,49)38-7-3-5-31-26-41-19-17-35(31)38)25-29-9-15-34(16-10-29)52-54(50,51)39-8-4-6-32-27-42-20-18-36(32)39/h3-20,26-27,37H,21-25H2,1-2H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126721 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ncccn1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C36H33N7O6S2/c1-41(50(45,46)33-7-2-5-27-24-37-17-13-30(27)33)32(35(44)42-19-21-43(22-20-42)36-39-15-4-16-40-36)23-26-9-11-29(12-10-26)49-51(47,48)34-8-3-6-28-25-38-18-14-31(28)34/h2-18,24-25,32H,19-23H2,1H3/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126704 (CHEMBL282815 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)N(C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O7S2/c1-42(52(46,47)37-11-5-7-29-26-40-19-17-32(29)37)35(39(45)44-23-21-43(22-24-44)34-9-3-4-10-36(34)50-2)25-28-13-15-31(16-14-28)51-53(48,49)38-12-6-8-30-27-41-20-18-33(30)38/h3-20,26-27,35H,21-25H2,1-2H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126717 (CHEMBL286496 | Isoquinoline-5-sulfonic acid 4-{(S)...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H34N6O6S2/c1-43(52(47,48)37-6-2-4-30-26-41-18-16-34(30)37)36(39(46)45-22-20-44(21-23-45)32-12-8-29(25-40)9-13-32)24-28-10-14-33(15-11-28)51-53(49,50)38-7-3-5-31-27-42-19-17-35(31)38/h2-19,26-27,36H,20-24H2,1H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126710 (CHEMBL28152 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(N)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H36N6O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24,39H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126706 ((S)-4-(3-(4-(4-chlorophenyl)piperazin-1-yl)-2-(N-m...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34ClN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126711 (CHEMBL28374 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)N(C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H37N5O7S2/c1-42(52(46,47)37-7-3-5-29-26-40-19-17-34(29)37)36(39(45)44-23-21-43(22-24-44)31-11-15-32(50-2)16-12-31)25-28-9-13-33(14-10-28)51-53(48,49)38-8-4-6-30-27-41-20-18-35(30)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126707 (CHEMBL28048 | Isoquinoline-5-sulfonic acid 4-[(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C37H34N6O6S2/c1-41(50(45,46)34-8-4-6-28-25-38-18-15-31(28)34)33(37(44)43-22-20-42(21-23-43)36-10-2-3-17-40-36)24-27-11-13-30(14-12-27)49-51(47,48)35-9-5-7-29-26-39-19-16-32(29)35/h2-19,25-26,33H,20-24H2,1H3/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126709 (CHEMBL27106 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(I)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C38H34IN5O6S2/c1-42(51(46,47)36-6-2-4-28-25-40-18-16-33(28)36)35(38(45)44-22-20-43(21-23-44)31-12-10-30(39)11-13-31)24-27-8-14-32(15-9-27)50-52(48,49)37-7-3-5-29-26-41-19-17-34(29)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50087268 (CHEMBL350311 | [(S)-7-(Isoquinoline-5-sulfonyl)-2-...) Show SMILES O=C([C@@H]1Cc2ccc(cc2CN1S(=O)(=O)c1cccc2ccccc12)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C39H34N4O5S2/c44-39(42-22-20-41(21-23-42)32-11-2-1-3-12-32)36-25-29-16-17-33(49(45,46)37-14-7-10-30-26-40-19-18-35(30)37)24-31(29)27-43(36)50(47,48)38-15-6-9-28-8-4-5-13-34(28)38/h1-19,24,26,36H,20-23,25,27H2/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated against P2X purinoceptor 7				Bioorg Med Chem Lett 10: 681-4 (2000) BindingDB Entry DOI: 10.7270/Q26M3626
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126716 (CHEMBL28210 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C39H34FN5O7S2/c1-43(53(48,49)36-6-2-4-29-25-41-18-16-33(29)36)35(39(47)45-22-20-44(21-23-45)38(46)28-10-12-31(40)13-11-28)24-27-8-14-32(15-9-27)52-54(50,51)37-7-3-5-30-26-42-19-17-34(30)37/h2-19,25-26,35H,20-24H2,1H3/t35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126714 ((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CCc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H39N5O6S2/c1-43(52(47,48)38-11-5-9-32-28-41-20-17-35(32)38)37(40(46)45-25-23-44(24-26-45)22-19-30-7-3-2-4-8-30)27-31-13-15-34(16-14-31)51-53(49,50)39-12-6-10-33-29-42-21-18-36(33)39/h2-18,20-21,28-29,37H,19,22-27H2,1H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50126725 (CHEMBL27632 | Isoquinoline-5-sulfonic acid 4-{(S)-...) Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1cccc(C)c1C)S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C40H39N5O6S2/c1-28-7-4-10-36(29(28)2)44-21-23-45(24-22-44)40(46)37(43(3)52(47,48)38-11-5-8-31-26-41-19-17-34(31)38)25-30-13-15-33(16-14-30)51-53(49,50)39-12-6-9-32-27-42-20-18-35(32)39/h4-20,26-27,37H,21-25H2,1-3H3/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Ferrara Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes				J Med Chem 46: 1318-29 (2003) Article DOI: 10.1021/jm021049d BindingDB Entry DOI: 10.7270/Q2JD4W57
					More data for this Ligand-Target Pair