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 = 'BDBM50189678'   

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))	BDBM50189678 (CHEMBL209180 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...) Show SMILES Brc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H21BrN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)	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	170	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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