BDBM50508770 CHEMBL4454475

SMILES CC[C@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC)C(N)=O

InChI Key InChIKey=VAOAZDOIIIEPGZ-JCYZGBPUSA-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 = 50508770   

TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508770(CHEMBL4454475)
Affinity DataKi:  2.04E+4nMAssay 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
LigandPNGBDBM50508770(CHEMBL4454475)
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
TargetNonstructural protein 3(Zika virus)
Australian National University

Curated by ChEMBL
LigandPNGBDBM50508770(CHEMBL4454475)
Affinity DataIC50:  1.65E+4nMAssay 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
LigandPNGBDBM50508770(CHEMBL4454475)
Affinity DataIC50:  4.60E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed