BDBM50311393 CHEMBL1081855::N-[3-(4-bromophenylamino)-4-pyridinyl]trifluoromethanesulfonamide

SMILES: FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1

InChI Key: InChIKey=BPNCIVZQFUIDBP-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 = 50311393   

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-1 (COX-1) (Homo sapiens (Human))	BDBM50311393 (CHEMBL1081855 | N-[3-(4-bromophenylamino)-4-pyridi...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1 Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liege Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay				J Med Chem 52: 5864-71 (2009) Article DOI: 10.1021/jm900702b BindingDB Entry DOI: 10.7270/Q2CV4JQ6
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50311393 (CHEMBL1081855 | N-[3-(4-bromophenylamino)-4-pyridi...) Show SMILES FC(F)(F)S(=O)(=O)Nc1ccncc1Nc1ccc(Br)cc1 Show InChI InChI=1S/C12H9BrF3N3O2S/c13-8-1-3-9(4-2-8)18-11-7-17-6-5-10(11)19-22(20,21)12(14,15)16/h1-7,18H,(H,17,19)	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	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Liege Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay				J Med Chem 52: 5864-71 (2009) Article DOI: 10.1021/jm900702b BindingDB Entry DOI: 10.7270/Q2CV4JQ6
					More data for this Ligand-Target Pair