BDBM50360452 CHEMBL1934620
SMILES: CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
InChI Key: InChIKey=GKSJPGAXWXUBMN-MVPXLJDHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50360452 (CHEMBL1934620) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saitama University Curated by ChEMBL | Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr | Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus (strain A/Aichi/2/1968 H3N2)) | BDBM50360452 (CHEMBL1934620) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.40E+5 | n/a | n/a | n/a | n/a |
Saitama University Curated by ChEMBL | Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry | Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50360452 (CHEMBL1934620) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.43E+5 | n/a | n/a | n/a | n/a |
Saitama University Curated by ChEMBL | Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry | Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hemagglutinin (Influenza A virus (strain A/Aichi/2/1968 H3N2)) | BDBM50360452 (CHEMBL1934620) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saitama University Curated by ChEMBL | Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr | Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ | |||||||||||
More data for this Ligand-Target Pair |