BDBM50458698 CHEMBL4203709

SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4(C)CC4)Oc3nc2c1)C(C)(C)C

InChI Key InChIKey=UDBSCDWKAHTYGU-QXHLTHQRSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458698   

TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458698(CHEMBL4203709)
Affinity DataKi:  0.200nMAssay Description:Inhibition of wild type HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FAMsp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458698(CHEMBL4203709)
Affinity DataKi:  0.800nMAssay Description:Inhibition of HCV genotype 1a NS3/4A protease R155K mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458698(CHEMBL4203709)
Affinity DataKi:  40nMAssay Description:Inhibition of HCV genotype 1a NS3/4A protease D168A mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed