BDBM50135226 CHEMBL3747473

SMILES: COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=BMTQTIXCIMFTIQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50135226   

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))	BDBM50135226 (CHEMBL3747473) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...				Bioorg Med Chem Lett 26: 94-9 (2015) BindingDB Entry DOI: 10.7270/Q2PR7XT0
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50135226 (CHEMBL3747473) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM50135226 (CHEMBL3747473) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50135226 (CHEMBL3747473) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H24N2O6S/c1-33-23-16-18-26(19-17-23)36(31,32)29(28-22-10-6-3-7-11-22)27(30)35-25-14-12-24(13-15-25)34-20-21-8-4-2-5-9-21/h2-19,28H,20H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair