BDBM13962 2-[(2-Benzylphenyl)oxalylamino]benzoic Acid::2-[(2-benzylphenyl)amidoformic acid]benzoic acid::Oxalylarylaminobenzoic Acid Analog 8f
SMILES: OC(=O)C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(O)=O
InChI Key: InChIKey=AIRWUUDFTYLFDG-UHFFFAOYSA-N
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)) | BDBM13962 (2-[(2-Benzylphenyl)oxalylamino]benzoic Acid | 2-[(...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.40E+4 | -6.23 | n/a | 3.50E+4 | 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... | J Med Chem 46: 2093-103 (2003) Article DOI: 10.1021/jm0205696 BindingDB Entry DOI: 10.7270/Q26H4FPH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM13962 (2-[(2-Benzylphenyl)oxalylamino]benzoic Acid | 2-[(...) | 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 | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of PTP1B | J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |