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 = 'BDBM50402650'   

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))	BDBM50402650 (CHEMBL2206756) Show SMILES Oc1ccc(C=C2SC(NCCCCCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,26.27,c:35,t:20| Show InChI InChI=1S/C29H32N4O4S2/c34-22-12-8-20(9-13-22)18-24-26(36)32-28(38-24)30-16-6-4-2-1-3-5-7-17-31-29-33-27(37)25(39-29)19-21-10-14-23(35)15-11-21/h8-15,18-19,34-35H,1-7,16-17H2,(H,30,32,36)(H,31,33,37)	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	6.20E+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
					More data for this Ligand-Target Pair