BDBM13981 1:1 racemic mixture::methyl 2-(4-{2-acetamido-3-[4-(2-hydroxyacetamido)phenyl]propanamido}butoxy)-6-hydroxybenzoate::phosphotyrosyl mimetic 11

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

InChI Key: InChIKey=ZCCZDEVJMRKPRL-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13981   

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))	BDBM13981 (1:1 racemic mixture | methyl 2-(4-{2-acetamido-3-[...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)CO)cc1)NC(C)=O Show InChI InChI=1S/C25H31N3O8/c1-16(30)27-19(14-17-8-10-18(11-9-17)28-22(32)15-29)24(33)26-12-3-4-13-36-21-7-5-6-20(31)23(21)25(34)35-2/h5-11,19,29,31H,3-4,12-15H2,1-2H3,(H,26,33)(H,27,30)(H,28,32)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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				3D Structure (docked)