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 = 'BDBM50380748'   

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))	BDBM50380748 (CHEMBL2017847) Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO4/c26-18-8-5-15(6-9-18)19(24(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
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