BDBM50513213 CHEMBL3344303

SMILES [H]/N=C(\N)/Nc1ccc(cc1)C(=O)Oc2ccc(cc2)N/C(=N\[H])/N

InChI Key InChIKey=JXJBQAMLLCEHTI-UHFFFAOYSA-N

Data  2 KI  3 IC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50513213   

TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50513213(CHEMBL3344303)
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of dengue virus serotype 2 His-tagged NS2B cofactor domain-NS3 protease expressed in Escherichia coli using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-N...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50513213(CHEMBL3344303)
Affinity DataIC50: 4.08E+3nMAssay Description:Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTrypsin(Human)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50513213(CHEMBL3344303)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50513213(CHEMBL3344303)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of DENV2 NS2B-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Heidelberg University

Curated by ChEMBL
LigandPNGBDBM50513213(CHEMBL3344303)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity to DENV2 NS2B/NS3 protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed