Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine-phosphatase' and Ligand = 'BDBM50131104'   

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
Protein-tyrosine-phosphatase (Yersinia pestis)	BDBM50131104 ((S)-4-{(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbam...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=O Show InChI InChI=1S/C43H47F2N4O10P/c1-26(2)22-36(39(46)51)47-41(53)37(23-27-16-18-29(19-17-27)43(44,45)60(55,56)57)48-40(52)35(20-21-38(50)58-24-28-10-4-3-5-11-28)49-42(54)59-25-34-32-14-8-6-12-30(32)31-13-7-9-15-33(31)34/h3-19,26,34-37H,20-25H2,1-2H3,(H2,46,51)(H,47,53)(H,48,52)(H,49,54)(H2,55,56,57)/t35-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Tyrosine phosphatase from Yersinia pestis expressed in E. coli BL21 (DE3) cells				Bioorg Med Chem Lett 13: 2577-81 (2003) BindingDB Entry DOI: 10.7270/Q2QC02VZ
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