BDBM50069687 (+)-Cis-Khellactone::CHEMBL68727
SMILES: CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O
InChI Key: InChIKey=HKXQUNNSKMWIKJ-DGCLKSJQSA-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)) | BDBM50069687 ((+)-Cis-Khellactone | CHEMBL68727) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay | Bioorg Med Chem Lett 25: 2028-32 (2015) Article DOI: 10.1016/j.bmcl.2015.04.003 BindingDB Entry DOI: 10.7270/Q2XP76M3 | |||||||||||
More data for this Ligand-Target Pair |