Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50039938   

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))	BDBM50386567 (CHEMBL2048437) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21| Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)	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
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386567 (CHEMBL2048437) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)C(Br)C1C3 |TLB:22:21:16.15.14:18,20:19:16:14.13.18,20:19:16.15.14:18,THB:10:12:16.15.14:18,22:15:18:19.21.12,20:19:16.15.22:13.18.12,12:21:16:14.13.18,12:13:16:19.22.21| Show InChI InChI=1S/C16H18BrCl2N3O/c17-14-9-2-7-1-8(4-9)13(10(14)3-7)16(23)22-21-15-11(18)5-20-6-12(15)19/h5-10,13-14H,1-4H2,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386566 (CHEMBL2048438) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNc1c(Cl)cncc1Cl |TLB:12:9:4:2.7.1,7:1:4.5.8:10,0:1:4:8.9.10,THB:7:5:10:2.1.11,6:5:10:2.1.11,11:1:4:8.9.10,11:9:4:2.7.1| Show InChI InChI=1S/C18H23Cl2N3O/c1-16-3-11-4-17(2,8-16)10-18(5-11,9-16)15(24)23-22-14-12(19)6-21-7-13(14)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	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 human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386566 (CHEMBL2048438) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNc1c(Cl)cncc1Cl |TLB:12:9:4:2.7.1,7:1:4.5.8:10,0:1:4:8.9.10,THB:7:5:10:2.1.11,6:5:10:2.1.11,11:1:4:8.9.10,11:9:4:2.7.1| Show InChI InChI=1S/C18H23Cl2N3O/c1-16-3-11-4-17(2,8-16)10-18(5-11,9-16)15(24)23-22-14-12(19)6-21-7-13(14)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386572 (CHEMBL2048286) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CCCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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 human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386573 (CHEMBL2048285) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCC1CCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	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 human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386568 (CHEMBL2048436) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)CC1C3 |TLB:10:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17,(.23,-.82,;1.57,-1.59,;1.57,-3.13,;2.9,-3.9,;4.24,-3.13,;4.23,-1.58,;5.56,-.8,;2.9,-.82,;2.89,.72,;4.22,1.5,;4.22,3.04,;2.88,3.8,;5.55,3.81,;6.95,3.33,;7.76,1.77,;7.86,3.33,;8.86,4.47,;7.99,5.85,;7.86,4.42,;6.56,6.37,;5.55,5.24,;6.37,3.85,)| Show InChI InChI=1S/C16H19Cl2N3O/c17-12-6-19-7-13(18)15(12)20-21-16(22)14-10-2-8-1-9(4-10)5-11(14)3-8/h6-11,14H,1-5H2,(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					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	120	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386568 (CHEMBL2048436) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1C2CC3CC(C2)CC1C3 |TLB:10:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17,(.23,-.82,;1.57,-1.59,;1.57,-3.13,;2.9,-3.9,;4.24,-3.13,;4.23,-1.58,;5.56,-.8,;2.9,-.82,;2.89,.72,;4.22,1.5,;4.22,3.04,;2.88,3.8,;5.55,3.81,;6.95,3.33,;7.76,1.77,;7.86,3.33,;8.86,4.47,;7.99,5.85,;7.86,4.42,;6.56,6.37,;5.55,5.24,;6.37,3.85,)| Show InChI InChI=1S/C16H19Cl2N3O/c17-12-6-19-7-13(18)15(12)20-21-16(22)14-10-2-8-1-9(4-10)5-11(14)3-8/h6-11,14H,1-5H2,(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386573 (CHEMBL2048285) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCC1CCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386572 (CHEMBL2048286) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CCCCCC1 Show InChI InChI=1S/C14H19Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386563 (CHEMBL2048441) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CC2CCC1C2 |TLB:12:13:19:16.17| Show InChI InChI=1S/C14H17Cl2N3O/c15-11-6-17-7-12(16)14(11)19-18-13(20)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					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	280	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386562 (CHEMBL2048279) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1Cc2ccccc12 Show InChI InChI=1S/C14H11Cl2N3O/c15-11-6-17-7-12(16)13(11)18-19-14(20)10-5-8-3-1-2-4-9(8)10/h1-4,6-7,10H,5H2,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386592 (CHEMBL2048251) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C14H13Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzAT...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386569 (CHEMBL2048435) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1C2CC3CC(C2)CC1C3 |TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(-10.48,.47,;-9.14,-.3,;-9.14,-1.85,;-7.81,-2.62,;-6.47,-1.85,;-6.48,-.3,;-5.15,.48,;-7.81,.47,;-7.82,2.01,;-6.49,2.78,;-6.49,4.32,;-7.83,5.09,;-5.16,5.1,;-3.82,4.33,;-3.81,2.84,;-5.01,1.57,;-3.51,1.99,;-2.11,1.42,;-1.09,2.7,;-2.49,2.35,;-1.08,4.23,;-2.48,4.81,;-3.52,3.57,)| Show InChI InChI=1S/C17H21Cl2N3O/c18-14-7-20-8-15(19)17(14)22-21-16(23)6-13-11-2-9-1-10(4-11)5-12(13)3-9/h7-13H,1-6H2,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386570 (CHEMBL2048434) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCCC1CCCCC1 Show InChI InChI=1S/C15H21Cl2N3O/c16-12-9-18-10-13(17)15(12)20-19-14(21)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386578 (CHEMBL2048274) Show SMILES Clc1cncc(Cl)c1NNC(=O)OCc1ccccc1 Show InChI InChI=1S/C13H11Cl2N3O2/c14-10-6-16-7-11(15)12(10)17-18-13(19)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386574 (CHEMBL2048284) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCC1CCCC1 Show InChI InChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,16,18)(H,17,19)	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
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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386585 (CHEMBL2048265) Show SMILES Clc1ccc(CC(=O)NNc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C13H10Cl3N3O/c14-9-3-1-8(2-4-9)5-12(20)18-19-13-10(15)6-17-7-11(13)16/h1-4,6-7H,5H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386592 (CHEMBL2048251) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C14H13Cl2N3O/c15-11-8-17-9-12(16)14(11)19-18-13(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,17,19)(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386571 (CHEMBL2048433) Show SMILES Clc1cncc(Cl)c1NNC(=O)CC1CCCCC1 Show InChI InChI=1S/C13H17Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,18)(H,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386582 (CHEMBL2048270) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCCc1ccccc1 Show InChI InChI=1S/C15H15Cl2N3O/c16-12-9-18-10-13(17)15(12)20-19-14(21)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386590 (CHEMBL2048259) Show SMILES Cc1cccc(C)c1NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C17H20N2O/c1-13-7-6-8-14(2)17(13)19-18-16(20)12-11-15-9-4-3-5-10-15/h3-10,19H,11-12H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386589 (CHEMBL2048261) Show SMILES Fc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C14H12Cl2FN3O/c15-11-7-18-8-12(16)14(11)20-19-13(21)6-3-9-1-4-10(17)5-2-9/h1-2,4-5,7-8H,3,6H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386579 (CHEMBL2048273) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C18H21Cl2N3O/c19-15-12-21-13-16(20)18(15)23-22-17(24)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386588 (CHEMBL2048262) Show SMILES Clc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C14H12Cl3N3O/c15-10-4-1-9(2-5-10)3-6-13(21)19-20-14-11(16)7-18-8-12(14)17/h1-2,4-5,7-8H,3,6H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386583 (CHEMBL2046462) Show SMILES Clc1cncc(Cl)c1NNC(=O)Cc1ccccc1 Show InChI InChI=1S/C13H11Cl2N3O/c14-10-7-16-8-11(15)13(10)18-17-12(19)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,18)(H,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386577 (CHEMBL2048277) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1CCc2ccccc2C1 Show InChI InChI=1S/C16H15Cl2N3O/c17-13-8-19-9-14(18)15(13)20-21-16(22)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386575 (CHEMBL2048283) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C18H15Cl2N3O/c19-15-10-21-11-16(20)18(15)23-22-17(24)9-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386581 (CHEMBL2048271) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCCCc1ccccc1 Show InChI InChI=1S/C16H17Cl2N3O/c17-13-10-19-11-14(18)16(13)21-20-15(22)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386591 (CHEMBL2048257) Show SMILES Clc1cccc(Cl)c1NNC(=O)CCc1ccccc1 Show InChI InChI=1S/C15H14Cl2N2O/c16-12-7-4-8-13(17)15(12)19-18-14(20)10-9-11-5-2-1-3-6-11/h1-8,19H,9-10H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386565 (CHEMBL2048439) Show SMILES Clc1cncc(Cl)c1NNC(=O)C12CC3CC1CC(C2)C3 |THB:17:18:13:15.16,17:16:13:19.20.18| Show InChI InChI=1S/C15H17Cl2N3O/c16-11-6-18-7-12(17)13(11)19-20-14(21)15-4-8-1-9(5-15)3-10(15)2-8/h6-10H,1-5H2,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386587 (CHEMBL2048263) Show SMILES Cc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C15H15Cl2N3O/c1-10-2-4-11(5-3-10)6-7-14(21)19-20-15-12(16)8-18-9-13(15)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386586 (CHEMBL2048264) Show SMILES COc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1 Show InChI InChI=1S/C15H15Cl2N3O2/c1-22-11-5-2-10(3-6-11)4-7-14(21)19-20-15-12(16)8-18-9-13(15)17/h2-3,5-6,8-9H,4,7H2,1H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386580 (CHEMBL2048272) Show SMILES Clc1cncc(Cl)c1NNC(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C17H19Cl2N3O/c18-14-11-20-12-15(19)17(14)22-21-16(23)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386584 (CHEMBL2048266) Show SMILES Clc1ccc(CC(=O)NNc2c(Cl)cncc2Cl)c(Cl)c1 Show InChI InChI=1S/C13H9Cl4N3O/c14-8-2-1-7(9(15)4-8)3-12(21)19-20-13-10(16)5-18-6-11(13)17/h1-2,4-6H,3H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386564 (CHEMBL2048440) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1CC2CCC1C2 |TLB:10:12:18:15.16| Show InChI InChI=1S/C13H15Cl2N3O/c14-10-5-16-6-11(15)12(10)17-18-13(19)9-4-7-1-2-8(9)3-7/h5-9H,1-4H2,(H,16,17)(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50386576 (CHEMBL2048278) Show SMILES Clc1cncc(Cl)c1NNC(=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C15H13Cl2N3O/c16-12-7-18-8-13(17)14(12)19-20-15(21)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+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 bromide uptake after 2 hrs by f...				J Med Chem 55: 3687-98 (2012) Article DOI: 10.1021/jm2012326 BindingDB Entry DOI: 10.7270/Q21G0NB3
					More data for this Ligand-Target Pair