BDBM50142313 2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-malonic acid diisopropyl ester::CHEMBL8767
SMILES: CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C
InChI Key: InChIKey=SXNCVBDHXJTVDZ-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50142313 (2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against CD45 protein-tyrosine phosphatase | Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50142313 (2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay | Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Leukocyte common antigen (Homo sapiens (Human)) | BDBM50142313 (2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against CD45 protein-tyrosine phosphatase | Bioorg Med Chem Lett 14: 1039-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.048 BindingDB Entry DOI: 10.7270/Q28C9VPM | |||||||||||
More data for this Ligand-Target Pair |