Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1 [1-298]' and Ligand = 'BDBM13984'   

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
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13984 ((2Z)-3-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(C=CC(O)=O)cc1)NC(=O)OC(C)(C)C |r,w:25.25| Show InChI InChI=1S/C29H36N2O9/c1-29(2,3)40-28(37)31-21(18-20-12-10-19(11-13-20)14-15-24(33)34)26(35)30-16-5-6-17-39-23-9-7-8-22(32)25(23)27(36)38-4/h7-15,21,32H,5-6,16-18H2,1-4H3,(H,30,35)(H,31,37)(H,33,34)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	>-20.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 13: 3947-50 (2003) Article DOI: 10.1016/j.bmcl.2003.08.064 BindingDB Entry DOI: 10.7270/Q22R3PXB
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