BDBM13611 2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3-phenylpropanamido]-2-(pentylcarbamoyl)ethyl]benzoic acid::CHEMBL175198::Compound VI::sulfotyrosyl tripeptide analog 6
SMILES: CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O
InChI Key: InChIKey=PUAJYWYRZTYQKS-GOTSBHOMSA-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 (Homo sapiens (Human)) | BDBM13611 (2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B) | Bioorg Med Chem Lett 13: 971-5 (2003) BindingDB Entry DOI: 10.7270/Q24M93WC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein-Tyrosine Phosphatase 1B (PTP1B) (Rattus norvegicus (rat)) | BDBM13611 (2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 250 | -8.91 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Pharmacia Corporation | Assay Description Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50%... | Biochemistry 40: 5642-54 (2001) Article DOI: 10.1021/bi002865v BindingDB Entry DOI: 10.7270/Q2D50K6S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |