BDBM50226660 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}ethoxy)-N-[3-(nitrooxy)propyl]carboxamide::CHEMBL392569

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCOC(=O)NCCCO[N+]([O-])=O)c2c1

InChI Key: InChIKey=XZTRRPDTHSGHNI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50226660   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50226660 ((2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methy...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCOC(=O)NCCCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C23H24ClN3O7/c1-15-19(10-13-33-23(29)25-11-3-12-34-27(30)31)20-14-18(32-2)8-9-21(20)26(15)22(28)16-4-6-17(24)7-5-16/h4-9,14H,3,10-13H2,1-2H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production				J Med Chem 50: 6367-82 (2007) Article DOI: 10.1021/jm0611861 BindingDB Entry DOI: 10.7270/Q2RJ4K9J
					More data for this Ligand-Target Pair