BDBM14262 4-bromo-3-(carboxymethoxy)-5-(4-{[4-(trifluoromethyl)benzene]sulfonamido}phenyl)thiophene-2-carboxylic acid::Monocyclic thiophene analog 31

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=UUTGESRRJSEYNX-UHFFFAOYSA-N

Data: 1 KI

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 = 14262   

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
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM14262 (4-bromo-3-(carboxymethoxy)-5-(4-{[4-(trifluorometh...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H13BrF3NO7S2/c21-15-16(32-9-14(26)27)18(19(28)29)33-17(15)10-1-5-12(6-2-10)25-34(30,31)13-7-3-11(4-8-13)20(22,23)24/h1-8,25H,9H2,(H,26,27)(H,28,29)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-9.13	n/a	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...				Bioorg Med Chem Lett 16: 4941-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.051 BindingDB Entry DOI: 10.7270/Q24J0CBD
					More data for this Ligand-Target Pair