Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'hartley' and Initial = 'cd'   

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
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM403740 (6-Chloro-7-((3-(cyclopropylmethyl)-7-methyl-3H-imi...) Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)c(Cl)cc12 Show InChI InChI=1S/C20H20ClN5O2/c1-11-5-17(24-20-19(11)22-10-26(20)8-12-3-4-12)23-14-7-16-15(6-13(14)21)25(2)18(27)9-28-16/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400239 (7-((1-(2-Cyclopropylethyl)-5-fluoro-1H-benzo[d]imi...) Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CCC5CC5)cnc4cc3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-25-19(27)10-28-18-6-13(9-22-20(18)25)24-15-8-17-16(7-14(15)21)23-11-26(17)5-4-12-2-3-12/h6-9,11-12,24H,2-5,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400243 (6-((3-(Cyclopropylmethyl)-7-methyl-3H-imidazo[4,5-...) Show SMILES CN1C(=O)COc2nc(Nc3cc(C)c4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C19H20N6O2/c1-11-7-15(22-18-17(11)20-10-25(18)8-12-3-4-12)21-14-6-5-13-19(23-14)27-9-16(26)24(13)2/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400238 (7-((1-((3,3-Difluorocyclobutyl)methyl)-5-fluoro-1H...) Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC(F)(F)C5)cnc4cc3F)cnc12 Show InChI InChI=1S/C20H18F3N5O2/c1-27-18(29)9-30-17-2-12(7-24-19(17)27)26-14-4-16-15(3-13(14)21)25-10-28(16)8-11-5-20(22,23)6-11/h2-4,7,10-11,26H,5-6,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400240 (7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...) Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400242 (N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...) Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400234 (7-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...) Show SMILES CN1C(=O)COc2cc(Nc3cnc4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C18H18N6O2/c1-23-13-5-4-12(6-14(13)26-9-16(23)25)21-15-7-19-17-18(22-15)24(10-20-17)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400241 (7-((3-(Cyclopropylmethyl)-3H-imidazo[4,5-b]pyridin...) Show SMILES CN1C(=O)COc2ncc(Nc3ccc4ncn(CC5CC5)c4n3)cc12 Show InChI InChI=1S/C18H18N6O2/c1-23-14-6-12(7-19-18(14)26-9-16(23)25)21-15-5-4-13-17(22-15)24(10-20-13)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400236 (7-((9-(Cyclopropylmethyl)-9H-purin-2-yl)amino)-4-(...) Show SMILES COCCN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C20H22N6O3/c1-28-7-6-26-16-5-4-14(8-17(16)29-11-18(26)27)23-20-21-9-15-19(24-20)25(12-22-15)10-13-2-3-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400233 (4-Cyclopropyl-7-((1-(cyclopropylmethyl)-1H-imidazo...) Show SMILES O=C1COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N1C1CC1 Show InChI InChI=1S/C21H21N5O2/c27-21-11-28-19-7-14(3-6-17(19)26(21)15-4-5-15)24-20-8-18-16(9-22-20)23-12-25(18)10-13-1-2-13/h3,6-9,12-13,15H,1-2,4-5,10-11H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM400235 (6-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...) Show SMILES Cn1c2ccc(Nc3cnc4ncn(CC5CC5)c4n3)cc2oc1=O Show InChI InChI=1S/C17H16N6O2/c1-22-12-5-4-11(6-13(12)25-17(22)24)20-14-7-18-15-16(21-14)23(9-19-15)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd US Patent					Assay Description The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...				US Patent US10016439 (2018) BindingDB Entry DOI: 10.7270/Q2NC63J0
					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	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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042625 ((E)-(3R,5S)-7-[2,4-Bis-(4-fluoro-phenyl)-5-isoprop...) Show SMILES CC(C)c1c(nc(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042631 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-p...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccnc1 Show InChI InChI=1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042607 ((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-isoprop...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					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
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
Squalene synthase (Rattus norvegicus)	BDBM50281113 (2,6-dihydroxy-7-methylcarbonyloxy-5-[3-(2-methyl-1...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-19(30)20(39-16(4)29)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042614 (CHEMBL120932 | Sodium; 7-[4,5-bis-(4-fluoro-phenyl...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042620 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O6S/c1-16(2)26-28-24(18-5-4-6-22(13-18)36(3,34)35)25(17-7-9-19(27)10-8-17)29(26)12-11-20(30)14-21(31)15-23(32)33/h4-13,16,20-21,30-31H,14-15H2,1-3H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042615 ((E)-(3R,5S)-7-[4-(4-Chloro-3,5-dimethyl-phenyl)-5-...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cc(C)c(Cl)c(C)c1 Show InChI InChI=1S/C27H30ClFN2O4/c1-15(2)27-30-25(19-11-16(3)24(28)17(4)12-19)26(18-5-7-20(29)8-6-18)31(27)10-9-21(32)13-22(33)14-23(34)35/h5-12,15,21-22,32-33H,13-14H2,1-4H3,(H,34,35)/p-1/b10-9+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281106 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042629 (CHEMBL121309 | Sodium; 7-[3-(4-fluoro-phenyl)-5-is...) Show SMILES CC(C)c1nc(-c2ccccc2)n(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					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
Squalene synthase (Rattus norvegicus)	BDBM50281105 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O14/c1-5-6-7-8-12-15-23(35)45-26-25(36)31(46-27(28(37)38)32(43,29(39)40)33(26,47-31)30(41)42)17-16-19(2)24(44-21(4)34)20(3)18-22-13-10-9-11-14-22/h9-11,13-14,20,24-27,36,43H,2,5-8,12,15-18H2,1,3-4H3,(H,37,38)(H,39,40)(H,41,42)/t20-,24-,25-,26-,27-,31+,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042622 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN3O4/c1-16(2)26-29-24(18-5-4-6-20(13-18)28-3)25(17-7-9-19(27)10-8-17)30(26)12-11-21(31)14-22(32)15-23(33)34/h4-13,16,21-22,28,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b12-11+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042601 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C25H38O5/c1-6-16(3)24(28)30-22-12-15(2)11-18-8-7-17(4)21(25(18,22)5)10-9-20-13-19(26)14-23(27)29-20/h7-8,11,15-17,19-22,26H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,19+,20+,21-,22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281109 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES COC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-18(29)19(40-24(36)38-4)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042612 (CHEMBL121610 | Sodium; 7-[5-(4-fluoro-2-methyl-phe...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,18.20,(11.75,-8.16,;10.61,-7.13,;10.91,-5.62,;9.14,-7.61,;8.67,-9.07,;7.13,-9.07,;6.65,-7.61,;5.2,-7.13,;4.88,-5.62,;3.41,-5.16,;2.27,-6.18,;.8,-5.71,;2.59,-7.7,;4.06,-8.16,;4.39,-9.67,;7.9,-6.7,;7.88,-5.16,;9.23,-4.39,;9.21,-2.85,;7.88,-2.08,;10.56,-2.08,;10.54,-.54,;9.21,.23,;11.89,.23,;11.87,1.76,;13.21,2.54,;10.54,2.53,;6.22,-10.31,;4.69,-10.14,;3.78,-11.38,;4.41,-12.79,;3.5,-14.04,;5.95,-12.94,;6.84,-11.71,)| Show InChI InChI=1S/C26H28F2N2O4/c1-15(2)26-29-24(17-4-6-18(27)7-5-17)25(22-9-8-19(28)12-16(22)3)30(26)11-10-20(31)13-21(32)14-23(33)34/h4-12,15,20-21,31-32H,13-14H2,1-3H3,(H,33,34)/p-1/b11-10+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281101 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CC3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O14/c1-18(24(44-20(3)34)19(2)16-21-10-6-4-7-11-21)14-15-31-25(36)26(45-23(35)17-22-12-8-5-9-13-22)33(47-31,30(41)42)32(43,29(39)40)27(46-31)28(37)38/h4,6-7,10-11,19,22,24-27,36,43H,1,5,8-9,12-17H2,2-3H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281119 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)\C=C\c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C34H36O14/c1-19(25(45-21(3)35)20(2)18-23-12-8-5-9-13-23)16-17-32-26(37)27(46-24(36)15-14-22-10-6-4-7-11-22)34(48-32,31(42)43)33(44,30(40)41)28(47-32)29(38)39/h4-15,20,25-28,37,44H,1,16-18H2,2-3H3,(H,38,39)(H,40,41)(H,42,43)/b15-14+/t20-,25-,26-,27-,28-,32+,33-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281102 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O15/c1-5-6-14-41-27(39)43-22-21(32)28(44-23(24(33)34)29(40,25(35)36)30(22,45-28)26(37)38)13-12-16(2)20(42-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,20-23,32,40H,2,5-6,12-15H2,1,3-4H3,(H,33,34)(H,35,36)(H,37,38)/t17-,20-,21-,22-,23-,28+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042611 (CHEMBL333003 | Sodium; 3,5-dihydroxy-7-[6-hydroxy-...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@H](O)CC([O-])=O)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C24H38O7/c1-5-14(2)23(30)31-21-12-18(26)10-16-7-6-15(3)20(24(16,21)4)9-8-17(25)11-19(27)13-22(28)29/h6-7,10,14-15,17-21,25-27H,5,8-9,11-13H2,1-4H3,(H,28,29)/p-1/t14-,15-,17?,18+,19-,20-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Squalene synthase (Rattus norvegicus)	BDBM50051872 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281122 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O14/c1-5-6-12-20(32)42-23-22(33)28(43-24(25(34)35)29(40,26(36)37)30(23,44-28)27(38)39)14-13-16(2)21(41-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,21-24,33,40H,2,5-6,12-15H2,1,3-4H3,(H,34,35)(H,36,37)(H,38,39)/t17-,21-,22-,23-,24-,28+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042616 ((E)-(3R,5S)-7-[2-tert-Butyl-4,5-bis-(4-fluoro-phen...) Show SMILES CC(C)(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N2O4/c1-26(2,3)25-29-23(16-4-8-18(27)9-5-16)24(17-6-10-19(28)11-7-17)30(25)13-12-20(31)14-21(32)15-22(33)34/h4-13,20-21,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281116 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H46O14/c1-23(29(49-25(3)39)24(2)22-27-17-11-7-12-18-27)20-21-36-30(41)31(50-28(40)19-13-5-4-8-14-26-15-9-6-10-16-26)38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43/h6-7,9-12,15-18,24,29-32,41,48H,1,4-5,8,13-14,19-22H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t24-,29-,30-,31-,32-,36+,37-,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281106 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					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
Squalene synthase (Rattus norvegicus)	BDBM50281103 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H34O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4-13,18,22-25,34,42H,1,14-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281102 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O15/c1-5-6-14-41-27(39)43-22-21(32)28(44-23(24(33)34)29(40,25(35)36)30(22,45-28)26(37)38)13-12-16(2)20(42-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,20-23,32,40H,2,5-6,12-15H2,1,3-4H3,(H,33,34)(H,35,36)(H,37,38)/t17-,20-,21-,22-,23-,28+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281115 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-5-6-7-8-9-10-14-17-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)19-18-21(2)26(46-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,26-29,38,45H,2,5-10,14,17-20H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t22-,26-,27-,28-,29-,33+,34-,35+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair

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