BDBM50060918 SELAGINELLIN::Selaginellin
SMILES: [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1
InChI Key: InChIKey=JOEMXJKVASNPSW-UHFFFAOYSA-N
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)) | BDBM50060918 (SELAGINELLIN | Selaginellin) | 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 | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu Curated by ChEMBL | Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis | J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50060918 (SELAGINELLIN | Selaginellin) | 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 | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate | J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 | |||||||||||
More data for this Ligand-Target Pair |