BDBM50362193 CHEMBL1938826

SMILES: NS(=O)(=O)C(F)(F)c1cc2cc(CN(Cc3ccc(cc3)-c3csnn3)S(=O)(=O)c3ccc(OCC(O)=O)cc3)ccc2cc1Br

InChI Key: InChIKey=LBPOYSHRRGARAV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50362193   

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 (Homo sapiens (Human))	BDBM50362193 (CHEMBL1938826) Show SMILES NS(=O)(=O)C(F)(F)c1cc2cc(CN(Cc3ccc(cc3)-c3csnn3)S(=O)(=O)c3ccc(OCC(O)=O)cc3)ccc2cc1Br Show InChI InChI=1S/C29H23BrF2N4O7S3/c30-26-13-21-6-3-19(11-22(21)12-25(26)29(31,32)46(33,41)42)15-36(14-18-1-4-20(5-2-18)27-17-44-35-34-27)45(39,40)24-9-7-23(8-10-24)43-16-28(37)38/h1-13,17H,14-16H2,(H,37,38)(H2,33,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
M.S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay				Bioorg Med Chem Lett 22: 1111-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05
					More data for this Ligand-Target Pair