BDBM50112549 CHEMBL25288::N-sec-Butyl-2-[1-(4-chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetamide

SMILES: CC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

InChI Key: InChIKey=ZSYGHBADRJNZOU-AWEZNQCLSA-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 = 50112549   

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))	BDBM50112549 (CHEMBL25288 | N-sec-Butyl-2-[1-(4-chloro-benzoyl)-...) Show SMILES CC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C23H25ClN2O3/c1-5-14(2)25-22(27)13-19-15(3)26(21-11-10-18(29-4)12-20(19)21)23(28)16-6-8-17(24)9-7-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2				Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50112549 (CHEMBL25288 | N-sec-Butyl-2-[1-(4-chloro-benzoyl)-...) Show SMILES CC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C23H25ClN2O3/c1-5-14(2)25-22(27)13-19-15(3)26(21-11-10-18(29-4)12-20(19)21)23(28)16-6-8-17(24)9-7-16/h6-12,14H,5,13H2,1-4H3,(H,25,27)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1				Bioorg Med Chem Lett 12: 1315-8 (2002) BindingDB Entry DOI: 10.7270/Q2S75FNZ
					More data for this Ligand-Target Pair