Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50194193'   

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 E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/m0/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/m0/s1	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50194193 (CHEMBL3926051) Show SMILES Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@H]2CCOC2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H29N3O2/c1-15-5-4-6-16-7-8-19(24-20(15)16)25-11-9-18(22(2,3)14-25)21(26)23-17-10-12-27-13-17/h4-8,17-18H,9-14H2,1-3H3,(H,23,26)/t17-,18+/m0/s1	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...				Bioorg Med Chem Lett 26: 4824-4828 (2016) Article DOI: 10.1016/j.bmcl.2016.08.023 BindingDB Entry DOI: 10.7270/Q2125VMX
					More data for this Ligand-Target Pair