Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.4 BDBM50188781

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 beta (Homo sapiens (Human))	BDBM50188781 (CHEMBL209527 | ammonium N-(4-{2-[(4-carboxyphenyl)...) Show SMILES COC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(Cc1ccc(cc1)C(O)=O)C(=O)OC Show InChI InChI=1S/C20H21NO9S/c1-29-18(24)20(19(25)30-2,11-13-3-7-15(8-4-13)17(22)23)12-14-5-9-16(10-6-14)21-31(26,27)28/h3-10,21H,11-12H2,1-2H3,(H,22,23)(H,26,27,28)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
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