BDBM50525242 CHEMBL4441561

SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)c2nc3cc(Cl)ccc3[nH]2)s1

InChI Key InChIKey=KCRGBCOERUHZLY-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 = 50525242   

TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50525242(CHEMBL4441561)
Affinity DataIC50: 5.95E+3nMAssay Description:Inhibition of recombinant Dengue virus 2 S-16803 NS2B-NS3 protease using Bz-nKRRAMC as substrate preincubated with enzyme followed by substrate addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50525242(CHEMBL4441561)
Affinity DataIC50: 5.95E+3nMAssay Description:Inhibition of GST-tagged DENV3 NS2B-NS3 serine protease expressed in Escherichia coli BL21Gold(DE3) using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50525242(CHEMBL4441561)
Affinity DataIC50: 5.95E+3nMAssay Description:Inhibition of His-tagged DENV2 NS2B-NS3 serine protease expressed in Escherichia coli BL21 using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed