BDBM50158443 CHEMBL374168::N-[3-(4-bromophenoxy)-4-pyridinyl]trifluoromethanesulfonamide

SMILES: FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1

InChI Key: InChIKey=PNIIWQXKUNOIFW-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 = 50158443   

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))	BDBM50158443 (CHEMBL374168 | N-[3-(4-bromophenoxy)-4-pyridinyl]t...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1 Show InChI InChI=1S/C12H8BrF3N2O3S/c13-8-1-3-9(4-2-8)21-11-7-17-6-5-10(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)	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	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production				J Med Chem 47: 6749-59 (2004) Article DOI: 10.1021/jm049480l BindingDB Entry DOI: 10.7270/Q2FF3RVK
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50158443 (CHEMBL374168 | N-[3-(4-bromophenoxy)-4-pyridinyl]t...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1 Show InChI InChI=1S/C12H8BrF3N2O3S/c13-8-1-3-9(4-2-8)21-11-7-17-6-5-10(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Université de Liège Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 product...				J Med Chem 47: 6749-59 (2004) Article DOI: 10.1021/jm049480l BindingDB Entry DOI: 10.7270/Q2FF3RVK
					More data for this Ligand-Target Pair