BDBM50508773 CHEMBL4589938

SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)C(N)=O)[C@@H](C)O

InChI Key InChIKey=HUNIQBOSWMLYFZ-KJLJPELSSA-N

Data  1 KI  2 IC50  1 Kd

  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 4 hits for monomerid = 50508773   

TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508773(CHEMBL4589938)
Affinity DataKi: >1.00E+5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508773(CHEMBL4589938)
Affinity DataKd:  5nMAssay Description:Binding affinity to C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(West Nile virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508773(CHEMBL4589938)
Affinity DataIC50: >2.00E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Dengue virus 2)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508773(CHEMBL4589938)
Affinity DataIC50: >2.00E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed