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 = 'BDBM50540269'   

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))	BDBM50540269 (CHEMBL4647463) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c2c1oc1c(-[#8])c(-[#6])cc(-[#8])c1c2=O Show InChI InChI=1S/C19H18O5/c1-9(2)4-5-11-6-7-12(20)14-17(23)15-13(21)8-10(3)16(22)19(15)24-18(11)14/h4,6-8,20-22H,5H2,1-3H3	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	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Greensboro Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon...				J Nat Prod 83: 675-683 (2020) Article DOI: 10.1021/acs.jnatprod.9b01108 BindingDB Entry DOI: 10.7270/Q2DZ0CVR
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