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 = 'BDBM50362187'   

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))	BDBM50362187 (CHEMBL1938820) Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C27H24N4O8S3/c32-26-13-25(41(35,36)29-26)21-7-3-19(4-8-21)15-31(14-18-1-5-20(6-2-18)24-17-40-30-28-24)42(37,38)23-11-9-22(10-12-23)39-16-27(33)34/h1-12,17,25H,13-16H2,(H,29,32)(H,33,34)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
M.S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay				Bioorg Med Chem Lett 22: 1111-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05
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