Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'sangana' and Initial = 'rr'   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50494753 (CHEMBL3094144) Show SMILES Cc1nc(C)c(s1)-c1nc(C)c2sc3cc(OCc4ccc5ccccc5n4)ccc3n12 Show InChI InChI=1S/C25H20N4OS2/c1-14-23(31-16(3)26-14)24-27-15(2)25-29(24)21-11-10-19(12-22(21)32-25)30-13-18-9-8-17-6-4-5-7-20(17)28-18/h4-12H,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using [3H]-cAMP/[3H]-cGMP as substrate after 30 mins by radiometric assay				Bioorg Med Chem Lett 23: 6747-54 (2013) Article DOI: 10.1016/j.bmcl.2013.10.027 BindingDB Entry DOI: 10.7270/Q2RV0RP4
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50381287 (CHEMBL2019020) Show SMILES COc1cc(N)ccc1-c1nc2n(C)nc(C3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C19H23N5O2/c1-24-18-15(16(23-24)11-6-4-3-5-7-11)19(25)22-17(21-18)13-9-8-12(20)10-14(13)26-2/h8-11H,3-7,20H2,1-2H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Displacement of [3H]-cAMP from human recombinant PDE7A				Bioorg Med Chem Lett 22: 3223-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.025 BindingDB Entry DOI: 10.7270/Q2NP25F2
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452066 (CHEMBL4206145) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452084 (CHEMBL4207228) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)NCC1CCCC1 Show InChI InChI=1S/C24H26Cl2N4O2/c1-24(2)11-15-19-18(28-23(29-19)30-20-16(25)8-5-9-17(20)26)10-14(21(15)32-24)22(31)27-12-13-6-3-4-7-13/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,27,31)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50207335 (CHEMBL3961834) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452071 (CHEMBL4208718) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124296 (US8759537, 33) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)cc3F)c(OCC(F)F)cc12 Show InChI InChI=1S/C29H27Cl3F3N5O3/c1-29(2,3)27(42)36-12-14-5-7-17(31)25(24(14)32)39-28-38-20-10-16(22(43-13-23(34)35)11-21(20)40(28)4)26(41)37-19-8-6-15(30)9-18(19)33/h5-11,23H,12-13H2,1-4H3,(H,36,42)(H,37,41)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 using PGH2 as substrate pretreated for 25 mins followed by substrate addition measured after 60 secs by HTRF a...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50397056 (CHEMBL2171440) Show SMILES COc1cc(ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1)C1CC1C(N)=O Show InChI InChI=1S/C23H27N5O3/c1-12-19-20(23(30)28(27-12)14-6-4-3-5-7-14)26-22(25-19)15-9-8-13(10-18(15)31-2)16-11-17(16)21(24)29/h8-10,14,16-17H,3-7,11H2,1-2H3,(H2,24,29)(H,25,26)	PDB MMDB 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
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay				Bioorg Med Chem Lett 22: 6286-91 (2012) Article DOI: 10.1016/j.bmcl.2012.07.077 BindingDB Entry DOI: 10.7270/Q21Z45JB
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460529 (CHEMBL4228804) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-16(20)28)9-12(21(13)37-24)22(36)32-17-8-11(25(29,30)31)6-7-15(17)27/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460527 (CHEMBL4228430) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460542 (CHEMBL4227545) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-15(20)27)9-12(21(13)37-24)22(36)32-17-7-6-11(8-16(17)28)25(29,30)31/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460540 (CHEMBL4227388) Show SMILES Cc1ccc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)n(C)c3c3CC(C)(C)Oc23)c(F)c1 Show InChI InChI=1S/C26H23ClF2N4O2/c1-13-8-9-19(18(29)10-13)30-24(34)14-11-20-22(15-12-26(2,3)35-23(14)15)33(4)25(31-20)32-21-16(27)6-5-7-17(21)28/h5-11H,12H2,1-4H3,(H,30,34)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460537 (CHEMBL4226536) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1 Show InChI InChI=1S/C27H23Cl2FN4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-18(23)29)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-19(20)30/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460531 (CHEMBL4226545) Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(ccc3F)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1 Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-16(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-18-9-13(26(29,30)31)7-8-17(18)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50207335 (CHEMBL3961834) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452078 (CHEMBL4203842) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460536 (CHEMBL4225183) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1 Show InChI InChI=1S/C27H23ClF2N4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-19(23)30)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-18(20)29/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452073 (CHEMBL4210425) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-13(25)8-31-9-14(19)26)6-11(20(12)37-23)21(36)32-16-4-3-10(5-15(16)27)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452079 (CHEMBL4206581) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50207343 (CHEMBL3931344) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460541 (CHEMBL4225710) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cn3)C(F)(F)F)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C25H20ClF4N5O2/c1-24(2)10-14-20-17(32-23(35(20)3)34-19-15(26)5-4-6-16(19)27)9-13(21(14)37-24)22(36)33-18-8-7-12(11-31-18)25(28,29)30/h4-9,11H,10H2,1-3H3,(H,32,34)(H,31,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50381291 (CHEMBL2019104) Show SMILES COc1cc(ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1)N1CCCNCC1 Show InChI InChI=1S/C23H29N5O2S/c1-30-18-14-16(28-12-5-10-24-11-13-28)8-9-17(18)21-25-22(29)19-20(27-31-23(19)26-21)15-6-3-2-4-7-15/h8-9,14-15,24H,2-7,10-13H2,1H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Displacement of [3H]-cAMP from human recombinant PDE7A				Bioorg Med Chem Lett 22: 3223-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.025 BindingDB Entry DOI: 10.7270/Q2NP25F2
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452070 (CHEMBL4204420) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H20Cl2N4O2/c1-24(2)12-15-19-18(28-23(29-19)30-20-16(25)9-6-10-17(20)26)11-14(21(15)32-24)22(31)27-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,27,31)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460534 (CHEMBL4229061) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C24H18Cl2F3N5O2/c1-23(2)9-13-18-16(31-22(33-18)34-19-14(25)4-3-5-15(19)26)8-12(20(13)36-23)21(35)32-17-7-6-11(10-30-17)24(27,28)29/h3-8,10H,9H2,1-2H3,(H,30,32,35)(H2,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452070 (CHEMBL4204420) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H20Cl2N4O2/c1-24(2)12-15-19-18(28-23(29-19)30-20-16(25)9-6-10-17(20)26)11-14(21(15)32-24)22(31)27-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,27,31)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452044 (CHEMBL4213901) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C30H30ClFN4O2/c1-30(2)16-21-25-24(34-29(35-25)36-26-22(31)9-6-10-23(26)32)15-20(27(21)38-30)28(37)33-19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,33,37)(H2,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452044 (CHEMBL4213901) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C30H30ClFN4O2/c1-30(2)16-21-25-24(34-29(35-25)36-26-22(31)9-6-10-23(26)32)15-20(27(21)38-30)28(37)33-19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,33,37)(H2,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460539 (CHEMBL4225160) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C3CC3)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C28H26ClFN4O2/c1-28(2)14-19-24-22(32-27(34(24)3)33-23-20(29)5-4-6-21(23)30)13-18(25(19)36-28)26(35)31-17-11-9-16(10-12-17)15-7-8-15/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452079 (CHEMBL4206581) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452045 (CHEMBL4211033) Show SMILES Cc1cc2c3[nH]c(Nc4c(Cl)cccc4Cl)nc3cc(C(=O)Nc3cccc(c3)C(F)(F)F)c2o1 Show InChI InChI=1S/C24H15Cl2F3N4O2/c1-11-8-14-19-18(31-23(32-19)33-20-16(25)6-3-7-17(20)26)10-15(21(14)35-11)22(34)30-13-5-2-4-12(9-13)24(27,28)29/h2-10H,1H3,(H,30,34)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452074 (CHEMBL4204099) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-14(25)8-31-9-15(19)26)6-11(20(12)37-23)21(36)32-10-3-4-16(27)13(5-10)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50494759 (CHEMBL3094141) Show SMILES Cc1nc(-c2ccncc2)n2c3ccc(OCc4ccc5ccccc5n4)cc3sc12 Show InChI InChI=1S/C25H18N4OS/c1-16-25-29(24(27-16)18-10-12-26-13-11-18)22-9-8-20(14-23(22)31-25)30-15-19-7-6-17-4-2-3-5-21(17)28-19/h2-14H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using [3H]-cAMP/[3H]-cGMP as substrate after 30 mins by radiometric assay				Bioorg Med Chem Lett 23: 6747-54 (2013) Article DOI: 10.1016/j.bmcl.2013.10.027 BindingDB Entry DOI: 10.7270/Q2RV0RP4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460539 (CHEMBL4225160) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C3CC3)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C28H26ClFN4O2/c1-28(2)14-19-24-22(32-27(34(24)3)33-23-20(29)5-4-6-21(23)30)13-18(25(19)36-28)26(35)31-17-11-9-16(10-12-17)15-7-8-15/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460533 (CHEMBL4225008) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460528 (CHEMBL4224969) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-15(26)4-3-5-17(20)28)9-12(21(13)37-24)22(36)32-11-6-7-16(27)14(8-11)25(29,30)31/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50494752 (CHEMBL3094147) Show SMILES [H][C@]12C[C@]1(COC2)c1nc(C)c2sc3cc(OCc4ccc5ccccc5n4)ccc3n12 |r| Show InChI InChI=1S/C25H21N3O2S/c1-15-23-28(24(26-15)25-11-17(25)12-29-14-25)21-9-8-19(10-22(21)31-23)30-13-18-7-6-16-4-2-3-5-20(16)27-18/h2-10,17H,11-14H2,1H3/t17-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A using [3H]-cAMP/[3H]-cGMP as substrate after 30 mins by radiometric assay				Bioorg Med Chem Lett 23: 6747-54 (2013) Article DOI: 10.1016/j.bmcl.2013.10.027 BindingDB Entry DOI: 10.7270/Q2RV0RP4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460526 (CHEMBL4224733) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460533 (CHEMBL4225008) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460543 (CHEMBL4226526) Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1 Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-17(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-13-7-8-18(28)16(9-13)26(29,30)31/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460527 (CHEMBL4228430) Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12 Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452072 (CHEMBL4218836) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H18Cl2F3N5O2/c1-23(2)8-14-18-17(32-22(33-18)34-19-15(25)9-30-10-16(19)26)7-13(20(14)36-23)21(35)31-12-5-3-11(4-6-12)24(27,28)29/h3-7,9-10H,8H2,1-2H3,(H,31,35)(H2,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460536 (CHEMBL4225183) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1 Show InChI InChI=1S/C27H23ClF2N4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-19(23)30)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-18(20)29/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460546 (CHEMBL4227610) Show SMILES Cc1cc(ccc1NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2CC(C)(C)Oc12)C(F)(F)F Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-9-13(26(29,30)31)7-8-18(12)32-23(36)14-10-19-20(15-11-25(2,3)37-22(14)15)34-24(33-19)35-21-16(27)5-4-6-17(21)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460546 (CHEMBL4227610) Show SMILES Cc1cc(ccc1NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2CC(C)(C)Oc12)C(F)(F)F Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-9-13(26(29,30)31)7-8-18(12)32-23(36)14-10-19-20(15-11-25(2,3)37-22(14)15)34-24(33-19)35-21-16(27)5-4-6-17(21)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452046 (CHEMBL4203493) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)NCC(F)(F)C(F)(F)F Show InChI InChI=1S/C21H17Cl2F5N4O2/c1-19(2)7-10-14-13(30-18(31-14)32-15-11(22)4-3-5-12(15)23)6-9(16(10)34-19)17(33)29-8-20(24,25)21(26,27)28/h3-6H,7-8H2,1-2H3,(H,29,33)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460535 (CHEMBL4226379) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C(F)F Show InChI InChI=1S/C25H19ClF4N4O2/c1-25(2)10-13-19-18(32-24(33-19)34-20-14(26)4-3-5-16(20)28)9-12(21(13)36-25)23(35)31-17-8-11(22(29)30)6-7-15(17)27/h3-9,22H,10H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452069 (CHEMBL4218250) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H25Cl2N5O2/c1-23(2)9-14-18-17(28-22(29-18)30-19-15(24)10-26-11-16(19)25)8-13(20(14)32-23)21(31)27-12-6-4-3-5-7-12/h8,10-12H,3-7,9H2,1-2H3,(H,27,31)(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50460545 (CHEMBL4226878) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1c(F)cccc1F Show InChI InChI=1S/C24H18Cl2F2N4O2/c1-24(2)10-12-18-17(29-23(31-18)32-19-13(25)5-3-6-14(19)26)9-11(21(12)34-24)22(33)30-20-15(27)7-4-8-16(20)28/h3-9H,10H2,1-2H3,(H,30,33)(H2,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...				Bioorg Med Chem Lett 28: 1211-1218 (2018) Article DOI: 10.1016/j.bmcl.2018.02.048 BindingDB Entry DOI: 10.7270/Q2N300K5
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452083 (CHEMBL4206169) Show SMILES Cc1cc2c3[nH]c(Nc4c(Cl)cncc4Cl)nc3cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c2o1 Show InChI InChI=1S/C23H14Cl2F3N5O2/c1-10-6-13-18-17(31-22(32-18)33-19-15(24)8-29-9-16(19)25)7-14(20(13)35-10)21(34)30-12-4-2-11(3-5-12)23(26,27)28/h2-9H,1H3,(H,30,34)(H2,29,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50452075 (CHEMBL4206064) Show SMILES COc1ccc(NC(=O)c2cc3nc(Nc4c(Cl)cccc4Cl)[nH]c3c3CC(C)(C)Oc23)cn1 Show InChI InChI=1S/C24H21Cl2N5O3/c1-24(2)10-14-19-17(29-23(30-19)31-20-15(25)5-4-6-16(20)26)9-13(21(14)34-24)22(32)28-12-7-8-18(33-3)27-11-12/h4-9,11H,10H2,1-3H3,(H,28,32)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
					More data for this Ligand-Target Pair

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