Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50112099'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50112099 (2-Carboxymethoxy-5-[2-(3-carboxy-propionylamino)-2...) Show SMILES CCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)CCC(O)=O Show InChI InChI=1S/C21H28N2O9/c1-2-3-4-9-22-20(29)15(23-17(24)7-8-18(25)26)11-13-5-6-16(32-12-19(27)28)14(10-13)21(30)31/h5-6,10,15H,2-4,7-9,11-12H2,1H3,(H,22,29)(H,23,24)(H,25,26)(H,27,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description Percent inhibition of compound against Protein-tyrosine phosphatase 1B at a 65 microM concentration				J Med Chem 45: 1785-98 (2002) BindingDB Entry DOI: 10.7270/Q27D2TFF
					More data for this Ligand-Target Pair				3D Structure (docked)