Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Low molecular weight protein-tyrosine phosphatase A' and Ligand = 'BDBM50466481'   

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
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50466481 (CHEMBL4285399) Show SMILES COc1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1OC Show InChI InChI=1S/C20H19N3O2S/c1-24-18-11-10-14(12-19(18)25-2)13-21-23-20(26)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H2,22,23,26)/b21-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...				Bioorg Med Chem 26: 5742-5750 (2018) Article DOI: 10.1016/j.bmc.2018.10.030 BindingDB Entry DOI: 10.7270/Q26T0QBX
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