Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.3 BDBM50499944

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human))	BDBM50499944 (CHEMBL3739990) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H16O5/c1-26-22-17(24)12-19-20(21(22)25)16(23)11-18(27-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,24-25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis				Bioorg Med Chem Lett 26: 87-93 (2016) Article DOI: 10.1016/j.bmcl.2015.11.026 BindingDB Entry DOI: 10.7270/Q2M048FV
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