Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 11' and Ligand = 'BDBM50054268'   

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 11 (Homo sapiens (Human))	BDBM50054268 (CHEMBL3319387 | US9522881, 11c-5 (L88M48)) Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)CCC(=O)Nc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H26IN3O5/c1-36-26-18-27(37)25(32(40)41)17-24(26)30(33)31(36)21-10-6-12-23(16-21)35-29(39)14-13-28(38)34-22-11-5-9-20(15-22)19-7-3-2-4-8-19/h2-12,15-18,37H,13-14H2,1H3,(H,34,38)(H,35,39)(H,40,41)	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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry				J Med Chem 57: 6594-609 (2014) Article DOI: 10.1021/jm5006176 BindingDB Entry DOI: 10.7270/Q24X59FM
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