BDBM50458696 CHEMBL4217345

SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1

InChI Key InChIKey=DCZOEBDBHRUWIP-UHFFFAOYSA-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 = 50458696   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458696(CHEMBL4217345)
Affinity DataKi:  14nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458696(CHEMBL4217345)
Affinity DataKi:  16nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50458696(CHEMBL4217345)
Affinity DataKi:  385nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed