BDBM50536234 CHEMBL4580214

SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCOCC1)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key InChIKey=CJMUCUZDSIJPFR-IYARVYRRSA-N

Data  2 IC50  9 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 11 hits for monomerid = 50536234   

TargetCytochrome P450 2E1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  120nMAssay Description:Inhibition of HCV genotype 1a NS5B M423V mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  280nMAssay Description:Inhibition of HCV genotype 1a NS5B M423T mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  400nMAssay Description:Inhibition of HCV genotype 1a NS5B L419I mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  240nMAssay Description:Inhibition of HCV genotype 1a NS5B L419M mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 5A(Hepatitis C virus)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  340nMAssay Description:Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/transla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 5A(Hepatitis C virus)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  23nMAssay Description:Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/transla...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 5A(Hepatitis C virus)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  37nMAssay Description:Allosteric inhibition of HCV genotype 1a NS5A infected in human W11.8 cells assessed as reduction in viral RNA replication after 4 days by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 4B1(Homo sapiens)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of CYP450 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  89nMAssay Description:Inhibition of HCV genotype 1a NS5B M423I mutantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNonstructural protein 5A(Hepatitis C virus)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50536234(CHEMBL4580214)
Affinity DataEC50:  4.80E+3nMAssay Description:Inhibition of HCV genotype 2a NS5AMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed