Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TYR_PHOSPHATASE_2 domain-containing protein' and Ligand = 'BDBM50544430'   

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)	BDBM50544430 (CHEMBL4647377 | US11192850, Entry 4j) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)21-15(22)16(23)24/h1-3,6-10H,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...				J Med Chem 63: 9212-9227 (2020) Article DOI: 10.1021/acs.jmedchem.0c00302 BindingDB Entry DOI: 10.7270/Q2QV3R3B
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