BDBM13982 1:1 racemic mixture::methyl 2-[4-(2-acetamido-3-{4-[(3-hydroxypyridine-2-)amido]phenyl}propanamido)butoxy]-6-hydroxybenzoate::phosphotyrosyl mimetic 12

SMILES: COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)c2ncccc2O)cc1)NC(C)=O

InChI Key: InChIKey=AIPGHJQAFUODHW-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13982   

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))	BDBM13982 (1:1 racemic mixture | methyl 2-[4-(2-acetamido-3-{...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)c2ncccc2O)cc1)NC(C)=O Show InChI InChI=1S/C29H32N4O8/c1-18(34)32-21(17-19-10-12-20(13-11-19)33-28(38)26-23(36)8-6-15-30-26)27(37)31-14-3-4-16-41-24-9-5-7-22(35)25(24)29(39)40-2/h5-13,15,21,35-36H,3-4,14,16-17H2,1-2H3,(H,31,37)(H,32,34)(H,33,38)	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
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