BDBM50508772 CHEMBL4452943

SMILES COc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@H](CCCCN)NC2=O)C(N)=O)cc1

InChI Key InChIKey=WEUZHCPYJDGQKN-AYSIYUGUSA-N

Data  1 KI  4 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 6 hits for monomerid = 50508772   

TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataKi:  440nMAssay 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
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataIC50:  250nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(West Nile virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataIC50:  3.90E+3nMAssay 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
TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataIC50:  620nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataKd:  9nMAssay 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(Dengue virus 2)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508772(CHEMBL4452943)
Affinity DataIC50:  1.70E+3nMAssay 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