BDBM50147212 CHEMBL3765311::US11053243, Example 192

SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1cc2cc(ccc2o1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key InChIKey=QKFUCROVTLGTAV-UHFFFAOYSA-N

Data  16 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50147212   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  3.30E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2017
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  2.30nMAssay Description:Inhibition of HCV NS5A Y93H mutant in HCV genotype 1b assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  6.40nMAssay Description:Inhibition of HCV NS5A L31V mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  8.80nMAssay Description:Inhibition of HCV NS5A Y93C mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  20nMAssay Description:Inhibition of HCV NS5A Y93H mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.5nMAssay Description:Inhibition of HCV NS5A L31V mutant in HCV genotype 1b assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  8.5nMAssay Description:Inhibition of HCV NS5A Q30R mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  5.5nMAssay Description:Inhibition of HCV NS5A Q30H mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.00400nMAssay Description:Inhibition of HCV NS5A M28V mutant in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  286nMAssay Description:Inhibition of HCV NS5A in HCV genotype 2b assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.400nMAssay Description:Inhibition of HCV NS5A in HCV genotype 2a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.00100nMAssay Description:Inhibition of HCV NS5A in HCV genotype 1b assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.300nMAssay Description:Inhibition of HCV NS5A in HCV genotype 4a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  4nMAssay Description:Inhibition of HCV NS5A in HCV genotype 3a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetNonstructural protein 5A(Hepacivirus C)
Merck

Curated by ChEMBL
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.0100nMAssay Description:Inhibition of HCV NS5A in HCV genotype 1a assessed as reduction in viral replication by cell based replicon assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2020
Entry Details Article
PubMed
TargetGenome polyprotein(HCV)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50147212(CHEMBL3765311 | US11053243, Example 192)
Affinity DataEC50:  0.00200nMAssay Description:Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2022
Entry Details
Go to US Patent