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 = 'BDBM50132464'   

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))	BDBM50132464 (2-(4-{2-tert-Butoxycarbonylamino-3-[4-(carbamoyl-c...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OC(C(N)=O)C(O)=O)cc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C29H37N3O11/c1-29(2,3)43-28(39)32-19(16-17-10-12-18(13-11-17)42-23(24(30)34)26(36)37)25(35)31-14-5-6-15-41-21-9-7-8-20(33)22(21)27(38)40-4/h7-13,19,23,33H,5-6,14-16H2,1-4H3,(H2,30,34)(H,31,35)(H,32,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Protein-tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 13: 3129-32 (2003) BindingDB Entry DOI: 10.7270/Q24B30QV
					More data for this Ligand-Target Pair				3D Structure (docked)