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 = 'BDBM50376616'   

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))	BDBM50376616 (CHEMBL410483) Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C24H20BrN3O5S2/c25-21-12-18(8-11-23(21)33-15-24(29)30)14-28(35(31,32)20-4-2-1-3-5-20)13-17-6-9-19(10-7-17)22-16-34-27-26-22/h1-12,16H,13-15H2,(H,29,30)	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 18: 2719-24 (2008) Article DOI: 10.1016/j.bmcl.2008.03.007 BindingDB Entry DOI: 10.7270/Q23J3DTX
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