Compile Data Set for Download or QSAR

Found 404 hits with Last Name = 'gleave' and Initial = 'rj'   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297677 (CHEMBL551829 | N-benzyl-4-(4-(methylsulfonyl)pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297675 (CHEMBL551148 | N-(4-fluorobenzyl)-4-(4-(methylsulf...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C19H15F4N3O2S/c1-29(27,28)15-8-4-13(5-9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297669 (CHEMBL561891 | N-cyclohexyl-4-(4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O2S/c1-27(25,26)14-9-7-12(8-10-14)15-11-16(18(19,20)21)24-17(23-15)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417280 (CHEMBL1271548) Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297672 (CHEMBL549393 | N-butyl-4-(4-(methylsulfonyl)phenyl...) Show SMILES CCCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-3-4-9-20-15-21-13(10-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(2,23)24/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297671 (4-(2-(butylamino)-6-(trifluoromethyl)pyrimidin-4-y...) Show SMILES CCCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17F3N4O2S/c1-2-3-8-20-14-21-12(9-13(22-14)15(16,17)18)10-4-6-11(7-5-10)25(19,23)24/h4-7,9H,2-3,8H2,1H3,(H2,19,23,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416599 (CHEMBL1222821) Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C15H16ClF3N2O2/c1-2-21-11(6-7-12(21)22)14(23)20-8-9-4-3-5-10(13(9)16)15(17,18)19/h3-5,11H,2,6-8H2,1H3,(H,20,23)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297670 (CHEMBL539663 | GW-637185X | N-sec-butyl-4-(4-(meth...) Show SMILES CCC(C)Nc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-4-10(2)20-15-21-13(9-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(3,23)24/h5-10H,4H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029600 (5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...				Bioorg Med Chem Lett 19: 4509-14 (2009) Article DOI: 10.1016/j.bmcl.2009.02.089 BindingDB Entry DOI: 10.7270/Q2W66KSC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417274 (CHEMBL1269248) Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(14)5-10(8)15/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297668 (4-(2-(cyclohexylamino)-6-(trifluoromethyl)pyrimidi...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O2S/c18-17(19,20)15-10-14(11-6-8-13(9-7-11)27(21,25)26)23-16(24-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,21,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416380 (CHEMBL1210561) Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C15H15ClF3N3O/c1-8-11(9(2)22-21-8)6-13(23)20-7-10-4-3-5-12(14(10)16)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417273 (CHEMBL1271885) Show SMILES CN1[C@@H](CN(C1=O)c1cn(C)cn1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-8-13(23-9-24)26-7-12(25(2)16(26)28)15(27)22-6-10-4-3-5-11(14(10)18)17(19,20)21/h3-5,8-9,12H,6-7H2,1-2H3,(H,22,27)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416375 (CHEMBL1210623) Show SMILES Cc1noc(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C15H14ClF3N2O2/c1-8-11(9(2)23-21-8)6-13(22)20-7-10-4-3-5-12(14(10)16)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297664 (CHEMBL559613 | N-methyl-4-(4-(methylsulfonyl)pheny...) Show SMILES CN(c1ccc(C)cc1)c1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H18F3N3O2S/c1-13-4-8-15(9-5-13)26(2)19-24-17(12-18(25-19)20(21,22)23)14-6-10-16(11-7-14)29(3,27)28/h4-12H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416378 (CHEMBL1210563) Show SMILES Cc1cnn(C)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C15H15ClF3N3O/c1-9-7-21-22(2)12(9)6-13(23)20-8-10-4-3-5-11(14(10)16)15(17,18)19/h3-5,7H,6,8H2,1-2H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417271 (CHEMBL1271769) Show SMILES CN1[C@@H](COCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O3/c1-20-10(6-23-7-11(20)21)13(22)19-5-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417279 (CHEMBL1271884) Show SMILES CN1[C@@H](CN(C1=O)c1nccn1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-7-6-22-15(24)26-9-12(25(2)16(26)28)14(27)23-8-10-4-3-5-11(13(10)18)17(19,20)21/h3-7,12H,8-9H2,1-2H3,(H,23,27)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417272 (CHEMBL1271604) Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C13H13ClF3N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417278 (CHEMBL1271767) Show SMILES CN1[C@@H](CC(F)(F)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297673 (4-(4-(methylsulfonyl)phenyl)-N-propyl-6-(trifluoro...) Show SMILES CCCNc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C15H16F3N3O2S/c1-3-8-19-14-20-12(9-13(21-14)15(16,17)18)10-4-6-11(7-5-10)24(2,22)23/h4-7,9H,3,8H2,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297665 (4-(4-(methylsulfonyl)phenyl)-N-((tetrahydro-2H-pyr...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCC2CCOCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O3S/c1-28(25,26)14-4-2-13(3-5-14)15-10-16(18(19,20)21)24-17(23-15)22-11-12-6-8-27-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417270 (CHEMBL1271656) Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297680 (4-(4-(methylsulfonyl)phenyl)-N-phenyl-6-(trifluoro...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(Nc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-9-7-12(8-10-14)15-11-16(18(19,20)21)24-17(23-15)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416598 (CHEMBL1222820) Show SMILES CCN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C14H16Cl2N2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(15)7-11(9)16/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297678 (CHEMBL561086 | N-(4-fluorophenyl)-4-(4-(methylsulf...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(Nc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O2S/c1-28(26,27)14-8-2-11(3-9-14)15-10-16(18(20,21)22)25-17(24-15)23-13-6-4-12(19)5-7-13/h2-10H,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416383 (CHEMBL1210558) Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416383 (CHEMBL1210558) Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416383 (CHEMBL1210558) Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297677 (CHEMBL551829 | N-benzyl-4-(4-(methylsulfonyl)pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of lipopolysaccharide-stimulated PGE2 production after 24 hrs by enzyme immunoassay				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297687 (2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F Show InChI InChI=1S/C17H17F3N2O3S/c1-26(23,24)13-8-6-11(7-9-13)14-10-15(17(18,19)20)22-16(21-14)25-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297689 (4-(4-(methylsulfonyl)phenyl)-2-(m-tolyloxy)-6-(tri...) Show SMILES Cc1cccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C19H15F3N2O3S/c1-12-4-3-5-14(10-12)27-18-23-16(11-17(24-18)19(20,21)22)13-6-8-15(9-7-13)28(2,25)26/h3-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297690 (4-(4-(methylsulfonyl)phenyl)-2-(p-tolyloxy)-6-(tri...) Show SMILES Cc1ccc(Oc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H15F3N2O3S/c1-12-3-7-14(8-4-12)27-18-23-16(11-17(24-18)19(20,21)22)13-5-9-15(10-6-13)28(2,25)26/h3-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297685 (2-(cycloheptyloxy)-4-(4-(methylsulfonyl)phenyl)-6-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O3S/c1-28(25,26)15-10-8-13(9-11-15)16-12-17(19(20,21)22)24-18(23-16)27-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297688 (2-cyclobutoxy-4-(4-(methylsulfonyl)phenyl)-6-(trif...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCC2)n1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O3S/c1-25(22,23)12-7-5-10(6-8-12)13-9-14(16(17,18)19)21-15(20-13)24-11-3-2-4-11/h5-9,11H,2-4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297686 (2-(cyclohexyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H19F3N2O3S/c1-27(24,25)14-9-7-12(8-10-14)15-11-16(18(19,20)21)23-17(22-15)26-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297676 (CHEMBL551830 | N-(4-methylbenzyl)-4-(4-(methylsulf...) Show SMILES Cc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18F3N3O2S/c1-13-3-5-14(6-4-13)12-24-19-25-17(11-18(26-19)20(21,22)23)15-7-9-16(10-8-15)29(2,27)28/h3-11H,12H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297684 (2-(cyclooctyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C20H23F3N2O3S/c1-29(26,27)16-11-9-14(10-12-16)17-13-18(20(21,22)23)25-19(24-17)28-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417275 (CHEMBL1271939) Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417277 (CHEMBL1269249) Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417269 (CHEMBL1269250) Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50417268 (CHEMBL1271826) Show SMILES CN1[C@@H](CN(C1=O)c1ccnc(C)c1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-8-13(6-7-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-4-3-5-14(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay				Bioorg Med Chem Lett 20: 6370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.09.101 BindingDB Entry DOI: 10.7270/Q2NC62GP
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50415889 (CHEMBL1098723) Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H20ClFN4O2/c1-12-18(10-20(28)25-11-15-3-6-16(23)9-19(15)22)13(2)27(26-12)17-7-4-14(5-8-17)21(24)29/h3-9H,10-11H2,1-2H3,(H2,24,29)(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation				Bioorg Med Chem Lett 20: 3161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.03.096 BindingDB Entry DOI: 10.7270/Q2W66N1B
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416395 (CHEMBL1210369) Show SMILES CCc1n[nH]c(CC)c1CCC(=O)NCc1ccc(F)cc1Cl Show InChI InChI=1S/C17H21ClFN3O/c1-3-15-13(16(4-2)22-21-15)7-8-17(23)20-10-11-5-6-12(19)9-14(11)18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416379 (CHEMBL1210562) Show SMILES Cc1cnn(C)c1CC(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H15Cl2N3O/c1-9-7-18-19(2)13(9)6-14(20)17-8-10-3-4-11(15)5-12(10)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416377 (CHEMBL1210621) Show SMILES Cn1ncc(F)c1CC(=O)NCc1cccc(c1Cl)C(F)(F)F Show InChI InChI=1S/C14H12ClF4N3O/c1-22-11(10(16)7-21-22)5-12(23)20-6-8-3-2-4-9(13(8)15)14(17,18)19/h2-4,7H,5-6H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor ethidium bromide release assay				Bioorg Med Chem Lett 20: 4653-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.107 BindingDB Entry DOI: 10.7270/Q2DZ09HF
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297679 (4-(4-(methylsulfonyl)phenyl)-N-p-tolyl-6-(trifluor...) Show SMILES Cc1ccc(Nc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C19H16F3N3O2S/c1-12-3-7-14(8-4-12)23-18-24-16(11-17(25-18)19(20,21)22)13-5-9-15(10-6-13)28(2,26)27/h3-11H,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50297670 (CHEMBL539663 | GW-637185X | N-sec-butyl-4-(4-(meth...) Show SMILES CCC(C)Nc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H18F3N3O2S/c1-4-10(2)20-15-21-13(9-14(22-15)16(17,18)19)11-5-7-12(8-6-11)25(3,23)24/h5-10H,4H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ...				Bioorg Med Chem Lett 19: 4504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.085 BindingDB Entry DOI: 10.7270/Q20Z7396
					More data for this Ligand-Target Pair

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