BDBM50084634 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[3-carboxy-1-(1-carboxy-2-mercapto-ethylcarbamoyl)-propylcarbamoyl]-propylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-butyric acid(NS4A-NS4B)::AcAsp-Glu-Met-Glu-Glu-Cys::CHEMBL62717

SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O

InChI Key InChIKey=VGFHUYLCQHZNFZ-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084634   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50084634(AcAsp-Glu-Met-Glu-Glu-Cys | 4-(2-Acetylamino-3-car...)
Affinity DataKi:  360nMAssay Description:Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50084634(AcAsp-Glu-Met-Glu-Glu-Cys | 4-(2-Acetylamino-3-car...)
Affinity DataKi:  500nMAssay Description:Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50084634(AcAsp-Glu-Met-Glu-Glu-Cys | 4-(2-Acetylamino-3-car...)
Affinity DataKi:  600nMAssay Description:Inhibitory constant against hepatitis C virus NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50084634(AcAsp-Glu-Met-Glu-Glu-Cys | 4-(2-Acetylamino-3-car...)
Affinity DataKi:  600nMAssay Description:Binding affinity against ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed