BDBM50140689 CHEMBL3752809

SMILES: Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@H]([C@@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1

InChI Key: InChIKey=MKUCYYXMPADMOH-RBUPXXSZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140689   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140689 (CHEMBL3752809) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@H]([C@@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50140689 (CHEMBL3752809) Show SMILES Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@H]([C@@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 |r| Show InChI InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Salerno Curated by ChEMBL					Assay Description Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated...				Bioorg Med Chem 24: 820-6 (2016) BindingDB Entry DOI: 10.7270/Q2JH3P1M
					More data for this Ligand-Target Pair