BDBM50317432 CHEMBL1098728::NEORAUTENOL
SMILES: CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1
InChI Key: InChIKey=OGFFMQWYZCTXCM-KXBFYZLASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sialidase (Clostridium perfringens) | BDBM50317432 (CHEMBL1098728 | NEORAUTENOL) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase | Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase (Vibrio cholerae) | BDBM50317432 (CHEMBL1098728 | NEORAUTENOL) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry | Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50317432 (CHEMBL1098728 | NEORAUTENOL) | 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 | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B assessed as p-nitrophenol production | Bioorg Med Chem Lett 19: 6745-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.108 BindingDB Entry DOI: 10.7270/Q24B328V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase (Clostridium perfringens) | BDBM50317432 (CHEMBL1098728 | NEORAUTENOL) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University Curated by ChEMBL | Assay Description Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry | Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM | |||||||||||
More data for this Ligand-Target Pair |