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 = 'BDBM50402652'   

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))	BDBM50402652 (CHEMBL2206735) Show SMILES O=C1N=C(NCCCCCCCNC2=NC(=O)C(S2)=Cc2ccccc2)SC1=Cc1ccccc1 |w:28.31,19.20,t:2,13| Show InChI InChI=1S/C27H28N4O2S2/c32-24-22(18-20-12-6-4-7-13-20)34-26(30-24)28-16-10-2-1-3-11-17-29-27-31-25(33)23(35-27)19-21-14-8-5-9-15-21/h4-9,12-15,18-19H,1-3,10-11,16-17H2,(H,28,30,32)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of PTP1B using fluorescein 3,6 diphosphate as substrate measured for 1 hr in presence of 1 mM dithiothreitol				Bioorg Med Chem Lett 22: 7345-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.072 BindingDB Entry DOI: 10.7270/Q2J67J38
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