BDBM50061066 (5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guanidino-propyl)-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15pentaaza-cyclononadecane-5,16-dicarboxylic acid::CHEMBL108308
SMILES: CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)\C(=C\C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O
InChI Key: InChIKey=IXBQSRWSVIBXNC-HSKGSTCASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus) | BDBM50061066 ((5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guan...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition activity against protein phosphatase 2A (PP2A), activity taken from literature | J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50061066 ((5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition activity against protein phosphatase 1 (PP1), activity taken from literature | J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus) | BDBM50061066 ((5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guan...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Observed inhibition activity against protein phosphatase 2A (PP2A) | J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50061066 ((5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Observed inhibition activity against protein phosphatase 1 (PP1) | J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0 | |||||||||||
More data for this Ligand-Target Pair |