Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50006419   

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))	BDBM50499857 (CHEMBL3740315) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:44:39:46:43.42.45,44:43:46:40.39.38,THB:38:37:40.39.44:42,38:39:42:37.46.45,1:37:40.39.44:42| Show InChI InChI=1S/C35H37N5O6S/c41-31-17-32(38-10-12-39(13-11-38)33(42)35-18-24-14-25(19-35)16-26(15-24)20-35)40(34(43)37-31)22-23-4-6-28(7-5-23)46-47(44,45)30-3-1-2-27-21-36-9-8-29(27)30/h1-9,17,21,24-26H,10-16,18-20,22H2,(H,37,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					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	14	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 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499857 (CHEMBL3740315) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:44:39:46:43.42.45,44:43:46:40.39.38,THB:38:37:40.39.44:42,38:39:42:37.46.45,1:37:40.39.44:42| Show InChI InChI=1S/C35H37N5O6S/c41-31-17-32(38-10-12-39(13-11-38)33(42)35-18-24-14-25(19-35)16-26(15-24)20-35)40(34(43)37-31)22-23-4-6-28(7-5-23)46-47(44,45)30-3-1-2-27-21-36-9-8-29(27)30/h1-9,17,21,24-26H,10-16,18-20,22H2,(H,37,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499844 (CHEMBL3742331) Show SMILES O=C(CC1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H35N5O6S/c39-30-19-31(36-12-14-37(15-13-36)32(40)18-26-17-23-4-7-24(26)16-23)38(33(41)35-30)21-22-5-8-27(9-6-22)44-45(42,43)29-3-1-2-25-20-34-11-10-28(25)29/h1-3,5-6,8-11,19-20,23-24,26H,4,7,12-18,21H2,(H,35,39,41)	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 P2X7 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499858 (CHEMBL3741312) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C36H39N5O6S/c42-32-17-33(39-10-12-40(13-11-39)34(43)21-36-18-25-14-26(19-36)16-27(15-25)20-36)41(35(44)38-32)23-24-4-6-29(7-5-24)47-48(45,46)31-3-1-2-28-22-37-9-8-30(28)31/h1-9,17,22,25-27H,10-16,18-21,23H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499843 (CHEMBL3741837) Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:9:8:4.3.2:6,0:1:4:8.7.9,THB:9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,11:8:4:2.1.6,11:8:4.3.2:6| Show InChI InChI=1S/C35H36BrN5O6S/c36-35-18-24-14-25(19-35)17-34(16-24,22-35)32(43)40-12-10-39(11-13-40)31-15-30(42)38-33(44)41(31)21-23-4-6-27(7-5-23)47-48(45,46)29-3-1-2-26-20-37-9-8-28(26)29/h1-9,15,20,24-25H,10-14,16-19,21-22H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499853 (CHEMBL3739871) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC1CC(C2)C3 |TLB:40:39:44:41.42,42:41:45.43.44:38,THB:42:43:38:40.41| Show InChI InChI=1S/C34H35N5O6S/c40-30-17-31(37-10-12-38(13-11-37)32(41)34-18-23-14-24(19-34)16-26(34)15-23)39(33(42)36-30)21-22-4-6-27(7-5-22)45-46(43,44)29-3-1-2-25-20-35-9-8-28(25)29/h1-9,17,20,23-24,26H,10-16,18-19,21H2,(H,36,40,42)	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					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	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499846 (CHEMBL3742001) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26BrN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499843 (CHEMBL3741837) Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:9:8:4.3.2:6,0:1:4:8.7.9,THB:9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,11:8:4:2.1.6,11:8:4.3.2:6| Show InChI InChI=1S/C35H36BrN5O6S/c36-35-18-24-14-25(19-35)17-34(16-24,22-35)32(43)40-12-10-39(11-13-40)31-15-30(42)38-33(44)41(31)21-23-4-6-27(7-5-23)47-48(45,46)29-3-1-2-26-20-37-9-8-28(26)29/h1-9,15,20,24-25H,10-14,16-19,21-22H2,(H,38,42,44)	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499854 (CHEMBL3740602) Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25Cl2N5O6S/c32-25-9-6-21(16-26(25)33)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-22-18-34-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	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 P2X7 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499858 (CHEMBL3741312) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C36H39N5O6S/c42-32-17-33(39-10-12-40(13-11-39)34(43)21-36-18-25-14-26(19-36)16-27(15-25)20-36)41(35(44)38-32)23-24-4-6-29(7-5-24)47-48(45,46)31-3-1-2-28-22-37-9-8-30(28)31/h1-9,17,22,25-27H,10-16,18-21,23H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499850 (CHEMBL3740929) Show SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26ClN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499854 (CHEMBL3740602) Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25Cl2N5O6S/c32-25-9-6-21(16-26(25)33)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-22-18-34-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	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 expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499860 (CHEMBL3740014) Show SMILES O=C(C1CCCCC1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H33N5O6S/c37-28-19-29(34-15-17-35(18-16-34)30(38)23-5-2-1-3-6-23)36(31(39)33-28)21-22-9-11-25(12-10-22)42-43(40,41)27-8-4-7-24-20-32-14-13-26(24)27/h4,7-14,19-20,23H,1-3,5-6,15-18,21H2,(H,33,37,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499846 (CHEMBL3742001) Show SMILES Brc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26BrN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499851 (CHEMBL3740541) Show SMILES Fc1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25ClFN5O6S/c32-25-9-6-21(16-26(25)33)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-22-18-34-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499849 (CHEMBL3742021) Show SMILES O=C(CC1CCCCC1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H35N5O6S/c38-29-20-30(35-15-17-36(18-16-35)31(39)19-23-5-2-1-3-6-23)37(32(40)34-29)22-24-9-11-26(12-10-24)43-44(41,42)28-8-4-7-25-21-33-14-13-27(25)28/h4,7-14,20-21,23H,1-3,5-6,15-19,22H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499844 (CHEMBL3742331) Show SMILES O=C(CC1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H35N5O6S/c39-30-19-31(36-12-14-37(15-13-36)32(40)18-26-17-23-4-7-24(26)16-23)38(33(41)35-30)21-22-5-8-27(9-6-22)44-45(42,43)29-3-1-2-25-20-34-11-10-28(25)29/h1-3,5-6,8-11,19-20,23-24,26H,4,7,12-18,21H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					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	129	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 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499856 (CHEMBL3741001) Show SMILES O=C(C1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H33N5O6S/c38-29-18-30(35-12-14-36(15-13-35)31(39)27-17-22-4-7-23(27)16-22)37(32(40)34-29)20-21-5-8-25(9-6-21)43-44(41,42)28-3-1-2-24-19-33-11-10-26(24)28/h1-3,5-6,8-11,18-19,22-23,27H,4,7,12-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					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 P2X7 receptor in human lymphocytes assessed as inhibition of ATP-induced ethidium ion uptake preincubated for 5 mins followed ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499845 (CHEMBL3741881) Show SMILES Fc1cc(Cl)ccc1C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25ClFN5O6S/c32-22-6-9-25(26(33)16-22)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-21-18-34-11-10-24(21)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499865 (CHEMBL3740694) Show SMILES Fc1ccc(cc1F)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25F2N5O6S/c32-25-9-6-21(16-26(25)33)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-22-18-34-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499847 (CHEMBL3740834) Show SMILES Clc1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26ClN5O6S/c32-24-5-1-3-22(17-24)30(39)36-15-13-35(14-16-36)29-18-28(38)34-31(40)37(29)20-21-7-9-25(10-8-21)43-44(41,42)27-6-2-4-23-19-33-12-11-26(23)27/h1-12,17-19H,13-16,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					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	250	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499855 (CHEMBL3741405) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:9:4.3.2:7,THB:10:3:7:9.8.11,11:9:4:2.1.7,11:1:4:9.8.10,12:9:4.3.2:7,0:1:4:9.8.10| Show InChI InChI=1S/C37H41N5O6S/c1-35-17-26-18-36(2,22-35)24-37(19-26,23-35)33(44)41-14-12-40(13-15-41)32-16-31(43)39-34(45)42(32)21-25-6-8-28(9-7-25)48-49(46,47)30-5-3-4-27-20-38-11-10-29(27)30/h3-11,16,20,26H,12-15,17-19,21-24H2,1-2H3,(H,39,43,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	252	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499862 (CHEMBL3740647) Show SMILES Clc1ccc(Br)cc1C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H25BrClN5O6S/c32-22-6-9-26(33)25(16-22)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-21-18-34-11-10-24(21)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	361	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499852 (CHEMBL3740296) Show SMILES Clc1ccccc1C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26ClN5O6S/c32-26-6-2-1-5-25(26)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-8-10-23(11-9-21)43-44(41,42)27-7-3-4-22-19-33-13-12-24(22)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	583	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499864 (CHEMBL3741696) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)c1ccccc1 Show InChI InChI=1S/C31H27N5O6S/c37-28-19-29(34-15-17-35(18-16-34)30(38)23-5-2-1-3-6-23)36(31(39)33-28)21-22-9-11-25(12-10-22)42-43(40,41)27-8-4-7-24-20-32-14-13-26(24)27/h1-14,19-20H,15-18,21H2,(H,33,37,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	664	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499863 (CHEMBL3739548) Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26FN5O6S/c32-24-8-6-22(7-9-24)30(39)36-16-14-35(15-17-36)29-18-28(38)34-31(40)37(29)20-21-4-10-25(11-5-21)43-44(41,42)27-3-1-2-23-19-33-13-12-26(23)27/h1-13,18-19H,14-17,20H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499861 (CHEMBL3739618) Show SMILES O=C(Cc1ccccc1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H29N5O6S/c38-29-20-30(35-15-17-36(18-16-35)31(39)19-23-5-2-1-3-6-23)37(32(40)34-29)22-24-9-11-26(12-10-24)43-44(41,42)28-8-4-7-25-21-33-14-13-27(25)28/h1-14,20-21H,15-19,22H2,(H,34,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499859 (CHEMBL3742386) Show SMILES O=c1cc(N2CCN(Cc3ccccc3)CC2)n(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)c(=O)[nH]1 Show InChI InChI=1S/C31H29N5O5S/c37-29-19-30(35-17-15-34(16-18-35)21-23-5-2-1-3-6-23)36(31(38)33-29)22-24-9-11-26(12-10-24)41-42(39,40)28-8-4-7-25-20-32-14-13-27(25)28/h1-14,19-20H,15-18,21-22H2,(H,33,37,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499841 (CHEMBL3739912) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C31H26F3N5O5S/c32-31(33,34)23-4-2-5-24(17-23)37-13-15-38(16-14-37)29-18-28(40)36-30(41)39(29)20-21-7-9-25(10-8-21)44-45(42,43)27-6-1-3-22-19-35-12-11-26(22)27/h1-12,17-19H,13-16,20H2,(H,36,40,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499848 (CHEMBL3741759) Show SMILES Fc1ccc(CN2CCN(CC2)c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)cc1 Show InChI InChI=1S/C31H28FN5O5S/c32-25-8-4-22(5-9-25)20-35-14-16-36(17-15-35)30-18-29(38)34-31(39)37(30)21-23-6-10-26(11-7-23)42-43(40,41)28-3-1-2-24-19-33-13-12-27(24)28/h1-13,18-19H,14-17,20-21H2,(H,34,38,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.43E+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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+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 Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair