BDBM50075603 (E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfanylcarbonylamino-6-methyl-4-oxo-2-(4-trifluoromethyl-benzyl)-heptanoylamino]-hex-2-enoic acid ethyl ester::CHEMBL280113

SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(cc1)C(F)(F)F

InChI Key InChIKey=FNNOAAOFOLZWHK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50075603   

TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075603((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Affinity DataEC50:  50nMAssay Description:Increased percentage of formazan production in drug treated virus infected cells to equal 50% of control drug free uninfected cells on serotype 14More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075603((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Affinity DataEC50:  180nMAssay Description:The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075603((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Affinity DataEC50:  160nMAssay Description:The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated,virus infected cells to 50%...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50075603((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Affinity DataEC50:  180nMAssay Description:The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed