BDBM14014 (5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1^{2,5}.1^{15,19}.0^{9,13}.0^{24,28}]hentriaconta-1(27),9,11,15,17,19(30),21(29),22,24(28),25-decaene-18-carbonitrile::CHEMBL55826::Macrocyclic 3-Aminopyrrolidinone analog 66

SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13

InChI Key InChIKey=OBXLXUGOZZWQOW-DEOSSOPVSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14014   

LigandPNGBDBM14014((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Affinity DataIC50:  1.10nMAssay Description:Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM14014((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Protein farnesyltransferase subunit beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14014((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Affinity DataIC50:  1.10nMAssay Description:Inhibitory concentration against farnesyltransferase was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM14014((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Affinity DataIC50:  5.5nMAssay Description:The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...More data for this Ligand-Target Pair