BDBM50256876 CHEMBL4082589
SMILES: CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)OC)cc1
InChI Key: InChIKey=JNNMLRCMQDVRGN-YWNVXTCZSA-N
Data: 1 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)) | BDBM50256876 (CHEMBL4082589) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute Curated by ChEMBL | Assay Description Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins | Bioorg Med Chem Lett 27: 2166-2170 (2017) Article DOI: 10.1016/j.bmcl.2017.03.060 BindingDB Entry DOI: 10.7270/Q2FR0024 | |||||||||||
More data for this Ligand-Target Pair |