BDBM50461550 CHEMBL2403888

SMILES CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C

InChI Key InChIKey=IYWRCNFZPNEADN-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50461550   

TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50461550(CHEMBL2403888)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50461550(CHEMBL2403888)
Affinity DataIC50: 2nMAssay Description:Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50461550(CHEMBL2403888)
Affinity DataIC50: 187nMAssay Description:Inhibition of N-terminal poly-His tagged recombinant HCV genotype 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50461550(CHEMBL2403888)
Affinity DataIC50: 95nMAssay Description:Inhibition of N-terminal poly-His tagged recombinant HCV genotype 3a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)