BDBM50226642 4-chlorophenyl 5-methoxy-2-methyl-3-[2-(nitrooxy)ethyl]-indolyl ketone::CHEMBL237221

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

InChI Key: InChIKey=UDIIURVKMXXJME-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 = 50226642   

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))	BDBM50226642 (4-chlorophenyl 5-methoxy-2-methyl-3-[2-(nitrooxy)e...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCO[N+]([O-])=O)c2c1 Show InChI InChI=1S/C19H17ClN2O5/c1-12-16(9-10-27-22(24)25)17-11-15(26-2)7-8-18(17)21(12)19(23)13-3-5-14(20)6-4-13/h3-8,11H,9-10H2,1-2H3	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+4	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