BDBM50362186 CHEMBL1938819

SMILES: NS(=O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1F

InChI Key: InChIKey=OGMLETJFLKSCML-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 = 50362186   

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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50362186 (CHEMBL1938819) Show SMILES NS(=O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1F Show InChI InChI=1S/C25H21F3N4O7S3/c26-22-11-17(3-10-21(22)25(27,28)42(29,37)38)13-32(12-16-1-4-18(5-2-16)23-15-40-31-30-23)41(35,36)20-8-6-19(7-9-20)39-14-24(33)34/h1-11,15H,12-14H2,(H,33,34)(H2,29,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
M.S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of TCPTP				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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50362186 (CHEMBL1938819) Show SMILES NS(=O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1F Show InChI InChI=1S/C25H21F3N4O7S3/c26-22-11-17(3-10-21(22)25(27,28)42(29,37)38)13-32(12-16-1-4-18(5-2-16)23-15-40-31-30-23)41(35,36)20-8-6-19(7-9-20)39-14-24(33)34/h1-11,15H,12-14H2,(H,33,34)(H2,29,37,38)	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	31	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