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 = 'BDBM50151008'   

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))	BDBM50151008 ((7S)-2-[(carboxycarbonyl)amino]-7-({[(5-fluoro-1H-...) Show SMILES OC(=O)C(=O)Nc1sc2C(CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O Show InChI InChI=1S/C20H17FN4O6S/c21-9-1-2-11-8(5-9)6-12(24-11)16(26)23-7-13-15-10(3-4-22-13)14(19(28)29)18(32-15)25-17(27)20(30)31/h1-2,5-6,13,22,24H,3-4,7H2,(H,23,26)(H,25,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B at pH 5.5				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
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