BDBM50142326 CHEMBL276648::[(4-{2-Benzotriazol-1-yl-2-phenyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yl]-ethyl}-phenyl)-difluoro-methyl]-phosphonic acid
SMILES: OP(O)(=O)C(F)(F)c1ccc(cc1)C(C(c1ccccc1)n1nnc2ccccc12)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
InChI Key: InChIKey=YJMPYOYPEFGAPW-UHFFFAOYSA-N
Data: 4 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)) | BDBM50142326![]() (CHEMBL276648 | [(4-{2-Benzotriazol-1-yl-2-phenyl-1...) | 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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay | Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) | ||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50142326![]() (CHEMBL276648 | [(4-{2-Benzotriazol-1-yl-2-phenyl-1...) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay | Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) | ||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM50142326![]() (CHEMBL276648 | [(4-{2-Benzotriazol-1-yl-2-phenyl-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibitory activity against T cell protein tyrosine phosphatase | Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte common antigen (Homo sapiens (Human)) | BDBM50142326![]() (CHEMBL276648 | [(4-{2-Benzotriazol-1-yl-2-phenyl-1...) | 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 Inhibitory activity against CD45 protein-tyrosine phosphatase | Bioorg Med Chem Lett 14: 1043-8 (2004) Article DOI: 10.1016/j.bmcl.2003.11.076 BindingDB Entry DOI: 10.7270/Q24M9404 | |||||||||||
More data for this Ligand-Target Pair |