BDBM50508769 CHEMBL4483351

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)[C@@H](C)CC)[C@@H](C)O)C(C)C

InChI Key InChIKey=NNQJQSMDPAXAOX-UHFFFAOYSA-N

Data  1 KI  4 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50508769   

TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataKd:  20nMAssay Description:Binding affinity to C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of C-terminal His6-tagged unlinked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGenome polyprotein(DENV-2)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal His6-tagged linked Dengue virus serotype 2 NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) preincubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetGenome polyprotein(WNV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal His6-tagged linked West Nile virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) preincubated for 15 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508769(CHEMBL4483351)
Affinity DataKi:  800nMAssay Description:Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed