BDBM50469485 CHEMBL4292761

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(SC3CCCCC3)cc2)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=CISGUQWJHJWBKI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50469485   

TargetNeuraminidase(Influenza A virus (strain A/Duck/Ukraine/1/1963 H3...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50469485(CHEMBL4292761)
Affinity DataIC50: 952nMAssay Description:Inhibition of Influenza A virus A/goose/Jiangsu/1306/2014(H5N8) neuraminidase N8 using fluorogenic MUNANA as substrate preincubated for 10 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/Budgerigar/Hokkaido/1/...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50469485(CHEMBL4292761)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of Influenza A virus A/duck/Guangdong/674/2014(H5N6) neuraminidase N6 using fluorogenic MUNANA as substrate preincubated for 10 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50469485(CHEMBL4292761)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) neuraminidase N1 H274Y mutant using fluorogenic MUNANA as substrate preincubated for 10 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed