BDBM50512042 CHEMBL4539136

SMILES: Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1

InChI Key: InChIKey=MVWIFDDJQANEGY-UHFFFAOYSA-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 = 50512042   

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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50512042 (CHEMBL4539136) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N4O4S/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium i...				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50512042 (CHEMBL4539136) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N4O4S/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay				Eur J Med Chem 169: 168-184 (2019) Article DOI: 10.1016/j.ejmech.2019.03.008
					More data for this Ligand-Target Pair