BDBM50538478 CHEMBL4634219

SMILES COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1

InChI Key InChIKey=DIAFMCNSNKUJTF-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50538478   

TargetGenome polyprotein(WNV)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50538478(CHEMBL4634219)
Affinity DataKi:  7.40E+3nMAssay Description:Inhibition of C-terminal His6-tagged West Nile virus NS2B (52 to 96 residues)-G4SG4-NS3 (1 to 184 residues) expressed in Escherichia coli BL21(DE3) c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50538478(CHEMBL4634219)
Affinity DataKi:  1.15E+4nMAssay Description:Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed