BDBM13980 1:1 racemic mixture::methyl 2-(4-{2-acetamido-3-[4-(trifluoromethanesulfonamido)phenyl]propanamido}butoxy)-6-hydroxybenzoate::phosphotyrosyl mimetic 10
SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)NC(C)=O
InChI Key: InChIKey=ZNXMZLNHCMFHSY-UHFFFAOYSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human)) | BDBM13980 (1:1 racemic mixture | methyl 2-(4-{2-acetamido-3-[...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >2.00E+5 | >-4.99 | 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 | |||||||||||
More data for this Ligand-Target Pair |