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 = 'BDBM50542422'   

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))	BDBM50542422 (CHEMBL4641929) Show SMILES Fc1ccc(NC(=O)c2ccc([nH]2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H17F2N3O2/c25-17-5-9-19(10-6-17)27-23(30)16-3-1-15(2-4-16)21-13-14-22(29-21)24(31)28-20-11-7-18(26)8-12-20/h1-14,29H,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangnan University Curated by ChEMBL					Assay Description Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127170 BindingDB Entry DOI: 10.7270/Q2NP27ZM
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