Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 7' and Ligand = 'BDBM50326499'   

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 7 (Homo sapiens (Human))	BDBM50326499 (4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carb...) Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C43H39NO10/c1-2-3-4-5-6-28-8-17-36(18-9-28)54-37-23-15-33(16-24-37)44-41(47)38-25-29(26-52-34-19-11-30(12-20-34)39(45)42(48)49)7-10-32(38)27-53-35-21-13-31(14-22-35)40(46)43(50)51/h7-25H,2-6,26-27H2,1H3,(H,44,47)(H,48,49)(H,50,51)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of HePTP				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
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