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 = 'BDBM50376617'   

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))	BDBM50376617 (CHEMBL407722) Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(OCC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H22BrN3O8S2/c27-22-11-18(3-10-24(22)38-15-26(33)34)13-30(12-17-1-4-19(5-2-17)23-16-39-29-28-23)40(35,36)21-8-6-20(7-9-21)37-14-25(31)32/h1-11,16H,12-15H2,(H,31,32)(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	4.10E+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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