Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TYR_PHOSPHATASE_2 domain-containing protein' and Ligand = 'BDBM50501255'   

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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501255 (CHEMBL3942054) Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(Br)c3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spect...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034 BindingDB Entry DOI: 10.7270/Q2MG7SWV
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