BDBM13978 ({4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenyl}carbamoyl)formic acid::1:1 racemic mixture::phosphotyrosyl mimetic 8a

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

InChI Key: InChIKey=NFMSQLAKBDDECA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 13978   

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 (Homo sapiens (Human))	BDBM13978 (({4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbon...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C25H29N3O9/c1-15(29)27-18(14-16-8-10-17(11-9-16)28-23(32)24(33)34)22(31)26-12-3-4-13-37-20-7-5-6-19(30)21(20)25(35)36-2/h5-11,18,30H,3-4,12-14H2,1-2H3,(H,26,31)(H,27,29)(H,28,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 23: 2579-84 (2013) Article DOI: 10.1016/j.bmcl.2013.02.109 BindingDB Entry DOI: 10.7270/Q2CJ8FV5
					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM13978 (({4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbon...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C25H29N3O9/c1-15(29)27-18(14-16-8-10-17(11-9-16)28-23(32)24(33)34)22(31)26-12-3-4-13-37-20-7-5-6-19(30)21(20)25(35)36-2/h5-11,18,30H,3-4,12-14H2,1-2H3,(H,26,31)(H,27,29)(H,28,32)(H,33,34)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10E+3	-7.04	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