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 = 'BDBM50253212'   

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))	BDBM50253212 (CHEMBL4088099) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(-c3cc(-[#8])c4-[#8]C([#6])([#6])[#6]=[#6]-c4c3)c(=O)c2c1-[#8] |c:22| Show InChI InChI=1S/C25H24O6/c1-13(2)5-6-16-18(26)11-20-21(22(16)28)23(29)17(12-30-20)15-9-14-7-8-25(3,4)31-24(14)19(27)10-15/h5,7-12,26-28H,6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, People's Republic of China. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins				Bioorg Med Chem 25: 3706-3713 (2017) Article DOI: 10.1016/j.bmc.2017.05.009 BindingDB Entry DOI: 10.7270/Q2C82CRZ
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