BDBM50495939 CHEMBL3120169

SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2

InChI Key InChIKey=CACPLCPGCAXTSF-UTEJEFIYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50495939   

TargetGenome polyprotein(Hepatitis C Virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50495939(CHEMBL3120169)
Affinity DataIC50:  0.530nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156T mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50495939(CHEMBL3120169)
Affinity DataIC50:  0.380nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156V mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50495939(CHEMBL3120169)
Affinity DataIC50:  0.180nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50495939(CHEMBL3120169)
Affinity DataIC50:  0.320nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed