BDBM50294527 3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-4-yloxy)-4,6-dihydroxy-2-pentylbenzoic acid::CHEMBL558886
SMILES: CCCCCc1c(Oc2cc(OC)cc3c2C(=O)OC3(CCCC)OC)c(O)cc(O)c1C(O)=O
InChI Key: InChIKey=RVLAGCKOEKBSNY-UHFFFAOYSA-N
Data: 2 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)) | BDBM50294527 (3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzo...) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Polar Research Institute Curated by ChEMBL | Assay Description Inhibition of PTP1B (1 to 298 residues) (unknown origin) using p-nitrophenylphosphate as substrate after 30 mins | J Nat Prod 81: 1460-1467 (2018) Article DOI: 10.1021/acs.jnatprod.8b00227 BindingDB Entry DOI: 10.7270/Q2X92DTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50294527 (3-(1-butyl-1,6-dimethoxy-3-oxo-1,3-dihydroisobenzo...) | 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 | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Silla University Curated by ChEMBL | Assay Description Inhibition of PTP1B | Bioorg Med Chem Lett 19: 2801-3 (2009) Article DOI: 10.1016/j.bmcl.2009.03.108 BindingDB Entry DOI: 10.7270/Q20P10ZF | |||||||||||
More data for this Ligand-Target Pair |