Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 6' and Ligand = 'BDBM50133021'   

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 6 (Homo sapiens (Human))	BDBM50133021 (CHEMBL3634592) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N(CC(=O)OC)S(C)(=O)=O)c1ccc(CN(Cc2ccccc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C34H39N3O9S3/c1-5-46-32-19-21-33(22-20-32)49(43,44)37(25-29-13-15-30(16-14-29)36(48(4,41)42)26-34(38)45-2)31-17-11-28(12-18-31)24-35(47(3,39)40)23-27-9-7-6-8-10-27/h6-22H,5,23-26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qilu University of Technology Curated by ChEMBL					Assay Description Inhibition of SHP1 (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins				Bioorg Med Chem 23: 7079-88 (2015) Article DOI: 10.1016/j.bmc.2015.09.024 BindingDB Entry DOI: 10.7270/Q2QZ2CTV
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