Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Triple specificity protein phosphatase PtpB' and Ligand = 'BDBM50544429'   

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
Triple specificity protein phosphatase PtpB ()	BDBM50544429 (CHEMBL4649838 | US11192850, Entry 4i) Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)25-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Q81H82
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