BDBM50362181 ({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-[difluoro(phosphono)methyl]naphthalen-2-yl}methyl)-3-oxo-3-phenylpropyl]-3-bromonaphthalen-2-yl}difluoromethyl)phosphonic acid (10h)::CHEMBL1938814
SMILES: OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
InChI Key: InChIKey=DELVPFVMXYCLMW-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)) | BDBM50362181 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre | Assay Description The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... | ChemMedChem 6: 1011-6 (2011) Article DOI: 10.1002/cmdc.201100077 BindingDB Entry DOI: 10.7270/Q2XW4HGZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM50362181 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda Curated by ChEMBL | Assay Description Inhibition of TCPTP | Bioorg Med Chem Lett 22: 1111-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50362181 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda Curated by ChEMBL | Assay Description Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay | Bioorg Med Chem Lett 22: 1111-7 (2012) Article DOI: 10.1016/j.bmcl.2011.11.122 BindingDB Entry DOI: 10.7270/Q2ZS2X05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM50362181 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Zydus Research Centre | Assay Description The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa... | ChemMedChem 6: 1011-6 (2011) Article DOI: 10.1002/cmdc.201100077 BindingDB Entry DOI: 10.7270/Q2XW4HGZ | |||||||||||
More data for this Ligand-Target Pair |