BDBM50343906 1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)pyrrolidine::CHEMBL1775093

SMILES: CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=VPIWKKRPOSAHRA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50343906   

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 G/H synthase 2 (Homo sapiens (Human))	BDBM50343906 (1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)p...) Show SMILES CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO4S/c1-25(21,22)19-7-3-2-6-18(19)24-17-10-8-16(9-11-17)23-15-14-20-12-4-5-13-20/h2-3,6-11H,4-5,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343906 (1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)p...) Show SMILES CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO4S/c1-25(21,22)19-7-3-2-6-18(19)24-17-10-8-16(9-11-17)23-15-14-20-12-4-5-13-20/h2-3,6-11H,4-5,12-15H2,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50343906 (1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)p...) Show SMILES CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO4S/c1-25(21,22)19-7-3-2-6-18(19)24-17-10-8-16(9-11-17)23-15-14-20-12-4-5-13-20/h2-3,6-11H,4-5,12-15H2,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50343906 (1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)p...) Show SMILES CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO4S/c1-25(21,22)19-7-3-2-6-18(19)24-17-10-8-16(9-11-17)23-15-14-20-12-4-5-13-20/h2-3,6-11H,4-5,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50343906 (1-(2-(4-(2-(Methylsulfonyl)phenoxy)phenoxy)ethyl)p...) Show SMILES CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23NO4S/c1-25(21,22)19-7-3-2-6-18(19)24-17-10-8-16(9-11-17)23-15-14-20-12-4-5-13-20/h2-3,6-11H,4-5,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay				J Med Chem 54: 3650-60 (2011) Article DOI: 10.1021/jm200063s BindingDB Entry DOI: 10.7270/Q24M94WS
					More data for this Ligand-Target Pair