BDBM14239 5-(carboxymethoxy)-10-{[1-(phenylmethane)sulfonylpiperidin-4-yl]amino}-3,7-dithiatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,9,11-pentaene-4-carboxylic acid::thienobenzothiophene 29
SMILES: OC(=O)COc1c(sc2c1sc1cc(NC3CCN(CC3)S(=O)(=O)Cc3ccccc3)ccc21)C(O)=O
InChI Key: InChIKey=UEELPALQXUYKFT-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)) | BDBM14239 (5-(carboxymethoxy)-10-{[1-(phenylmethane)sulfonylp...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 370 | -8.77 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research | Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate... | Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM14239 (5-(carboxymethoxy)-10-{[1-(phenylmethane)sulfonylp...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 380 | -8.75 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research | Assay Description The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate... | Bioorg Med Chem 14: 2162-77 (2006) Article DOI: 10.1016/j.bmc.2005.11.005 BindingDB Entry DOI: 10.7270/Q289143K | |||||||||||
More data for this Ligand-Target Pair |