Compile Data Set for Download or QSAR
Report error Found 6 Enz. Inhib. hit(s) for PDB: 6C2M
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataIC50: 2nMAssay Description:Inhibition of HCV NS3/4a protease using Ac-DE-Dap(QXL520)-EE-Abu-shi-[COO]AS-C(5-FAMsp)-NH2 as substrate after 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataKi:  0.140nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataKi:  5.30nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataKi:  12nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50485492(Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...)
Affinity DataKi:  30nMAssay Description:Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)