Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.4 BDBM50569443

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	BDBM50569443 (CHEMBL4851179) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128920 BindingDB Entry DOI: 10.7270/Q23B6438
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50569443 (CHEMBL4851179) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127992 BindingDB Entry DOI: 10.7270/Q20R9T5S
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50569443 (CHEMBL4851179) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Nc1cccc(Cl)c1)C(=O)Oc1ccc(OCc2ccccc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127992 BindingDB Entry DOI: 10.7270/Q20R9T5S
					More data for this Ligand-Target Pair