BDBM13997 5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl]phenyl}-4-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid::Isoxazole carboxylic acid analog 8
SMILES: COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO
InChI Key: InChIKey=DQSRCEFDWMQCCV-GQCTYLIASA-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)) | BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | 920 | -8.15 | 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 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.92E+4 | -6.37 | 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 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of TCPTP (unknown origin) | Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB PubMed | n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of PTP1B (unknown origin) | Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |