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 = 'BDBM50410984'   

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))	BDBM50410984 (CHEMBL2113225) Show SMILES O=C(CCc1ccccc1)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H26N4O4S/c32-25(15-12-18-6-2-1-3-7-18)28-23(27-29-21-8-4-5-9-22(21)30-27)16-19-10-13-20(14-11-19)24-17-26(33)31-36(24,34)35/h1-11,13-14,23-24H,12,15-17H2,(H,28,32)(H,29,30)(H,31,33)/t23-,24-/m0/s1	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP assay				J Med Chem 49: 3774-89 (2006) Article DOI: 10.1021/jm0600904 BindingDB Entry DOI: 10.7270/Q2JQ10M8
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