BDBM50512020 CHEMBL4438116

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=JVYWGVMKPCYLNB-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 = 50512020   

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/G/H synthase 2 (Homo sapiens (Human))	BDBM50512020 (CHEMBL4438116) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)	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	420	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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50512020 (CHEMBL4438116) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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