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 = 'BDBM50402656'   

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))	BDBM50402656 (CHEMBL2207335) Show SMILES Oc1ccc(C=C2SC(NCC3CCCC(CNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)C3)=NC2=O)cc1 |w:5.4,24.25,c:35,t:18| Show InChI InChI=1S/C28H28N4O4S2/c33-21-8-4-17(5-9-21)13-23-25(35)31-27(37-23)29-15-19-2-1-3-20(12-19)16-30-28-32-26(36)24(38-28)14-18-6-10-22(34)11-7-18/h4-11,13-14,19-20,33-34H,1-3,12,15-16H2,(H,29,31,35)(H,30,32,36)	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	9.00E+3	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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