BDBM50495951 CHEMBL3121193

SMILES CNC(=O)c1c(oc2cc(N(Cc3ccc(B(O)O)c(F)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1

InChI Key InChIKey=GDSKPIAEYNJODX-UHFFFAOYSA-N

Data  6 IC50

PDB links: 4 PDB IDs match this monomer.

  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 6 hits for monomerid = 50495951   

TargetRNA-directed RNA polymerase(Hepacivirus C)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50:  130nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS5B Cdelta21 RNA dependent RNA polymerase 316N mutant using biotinylated polyC:oligoG/[alpha-P33]-GTP as...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-MS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-MS/...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50:  7.10E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured by LC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50495951(CHEMBL3121193)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured by LC-M...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed