BDBM50505966 CHEBI:85089::GS-5885::Ledipasvir::Ledipasvir acetonate

SMILES [H][C@](NC(=O)OC)(C(C)C)C(=O)N1CC2(CC2)C[C@@]1([H])c1nc(c[nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1ccc2[nH]c(nc2c1)[C@@]1([H])N(C(=O)[C@@]([H])(NC(=O)OC)C(C)C)[C@]2([H])CC[C@@]1([H])C2

InChI Key InChIKey=VRTWBAAJJOHBQU-UHFFFAOYSA-N

Data  2 IC50  31 EC50

  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 33 hits for monomerid = 50505966   

TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.0310nMAssay Description:Inhibition of NS5A in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  943nMAssay Description:Inhibition of NS5A R44K mutant in HCV genotype 2b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50: >89nMAssay Description:Inhibition of NS5A A30K mutant in HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50: >89nMAssay Description:Inhibition of NS5A Y93H mutant in HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  865nMAssay Description:Inhibition of NS5A in wild type HCV genotype 2b MD2b-1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  168nMAssay Description:Inhibition of NS5A in HCV genotype 3a S52 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.00400nMAssay Description:Inhibition of NS5A in HCV genotype 1b Con1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.00400nMAssay Description:Inhibition of NS5A in wild type HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  7.20nMAssay Description:Inhibition of NS5A Y93H mutant in HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  123nMAssay Description:Inhibition of NS5A N62S mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  5.70nMAssay Description:Inhibition of NS5A Q30H mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  50nMAssay Description:Inhibition of NS5A Y93C mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  222nMAssay Description:Inhibition of NS5A N62V mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  211nMAssay Description:Inhibition of NS5A in wild type HCV genotype 2b AY232738 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 day...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  292nMAssay Description:Inhibition of NS5A P58S mutant in HCV genotype 2b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataIC50: 21nMAssay Description:Inhibition of NS5A in HCV genotype 2a JFH-1 by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataIC50: 41nMAssay Description:Inhibition of NS5A in HCV genotype 3a by cell based luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  530nMAssay Description:Inhibition of NS5A in HCV genotype 2b MD2b-1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lucifer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  164nMAssay Description:Inhibition of NS5A K44R mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  209nMAssay Description:Inhibition of NS5A in HCV wild type genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  52nMAssay Description:Inhibition of NS5A Y93H mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  17nMAssay Description:Inhibition of NS5A L31M mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  1.90nMAssay Description:Inhibition of NS5A M28T mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  264nMAssay Description:Inhibition of NS5A in HCV genotype 6e D88 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.150nMAssay Description:Inhibition of NS5A in HCV genotype 5a SA13 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  249nMAssay Description:Inhibition of NS5A in HCV genotype 2a J6 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  21nMAssay Description:Inhibition of NS5A in HCV genotype 2a JFH1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  1.10nMAssay Description:Inhibition of NS5A in HCV genotype 6a HK6 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.0310nMAssay Description:Inhibition of NS5A in wild type HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  169nMAssay Description:Inhibition of NS5A Q30E mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  20nMAssay Description:Inhibition of NS5A Q30R mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by lu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50: >45nMAssay Description:Inhibition of NS5A in wild type HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50505966(CHEBI:85089 | GS-5885 | Ledipasvir | Ledipasvir ac...)
Affinity DataEC50:  0.390nMAssay Description:Inhibition of NS5A in HCV genotype 4a ED43 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed