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 = 'BDBM50402648'   

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))	BDBM50402648 (CHEMBL2206754) Show SMILES Oc1ccc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,24.25,c:33,t:18| Show InChI InChI=1S/C27H28N4O4S2/c32-20-10-6-18(7-11-20)16-22-24(34)30-26(36-22)28-14-4-2-1-3-5-15-29-27-31-25(35)23(37-27)17-19-8-12-21(33)13-9-19/h6-13,16-17,32-33H,1-5,14-15H2,(H,28,30,34)(H,29,31,35)	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	3.06E+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
					More data for this Ligand-Target Pair