BDBM50090813 2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-nonyl-acetamide::CHEMBL95402

SMILES: CCCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

InChI Key: InChIKey=ZMWWNFQOZWABTB-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 = 50090813   

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))	BDBM50090813 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES CCCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C28H35ClN2O3/c1-4-5-6-7-8-9-10-17-30-27(32)19-24-20(2)31(26-16-15-23(34-3)18-25(24)26)28(33)21-11-13-22(29)14-12-21/h11-16,18H,4-10,17,19H2,1-3H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determined				J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50090813 (2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...) Show SMILES CCCCCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C28H35ClN2O3/c1-4-5-6-7-8-9-10-17-30-27(32)19-24-20(2)31(26-16-15-23(34-3)18-25(24)26)28(33)21-11-13-22(29)14-12-21/h11-16,18H,4-10,17,19H2,1-3H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description In vitro inhibitory activity against ovine Prostaglandin G/H synthase 1 (44 nM) using [14C]AA (50 uM) was determined				J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP
					More data for this Ligand-Target Pair