BDBM50512027 CHEMBL4455944

SMILES: CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=UBRMHWUNHFUKKD-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 = 50512027   

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))	BDBM50512027 (CHEMBL4455944) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C25H31N5O5S/c1-2-35-21-8-4-19(5-9-21)24-18-23(25(31)27-12-3-13-29-14-16-34-17-15-29)28-30(24)20-6-10-22(11-7-20)36(26,32)33/h4-11,18H,2-3,12-17H2,1H3,(H,27,31)(H2,26,32,33)	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	910	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)	BDBM50512027 (CHEMBL4455944) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C25H31N5O5S/c1-2-35-21-8-4-19(5-9-21)24-18-23(25(31)27-12-3-13-29-14-16-34-17-15-29)28-30(24)20-6-10-22(11-7-20)36(26,32)33/h4-11,18H,2-3,12-17H2,1H3,(H,27,31)(H2,26,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	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