BDBM13972 1:1 racemic mixture::2-({4-[2-acetamido-2-(pentylcarbamoyl)ethyl]-2-(propan-2-yl)phenyl}amidoformic acid)benzoic acid::N-Acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]3-isopropyl-N-pentylphenylalaninamide::Oxalylarylaminobenzoic Acid Analog 12c
SMILES: CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(c1)C(C)C)NC(C)=O
InChI Key: InChIKey=ASONNPNGTUIILG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM13972 (1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human)) | BDBM13972 (1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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) |