BDBM14012 (5S)-7,31-dioxo-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::CHEMBL523080::Macrocyclic 3-Aminopyrrolidinone analog 56

SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13

InChI Key InChIKey=RBZQXEMPWMGPEK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 14012   

LigandPNGBDBM14012(CHEMBL523080 | (5S)-7,31-dioxo-20-oxa-2,6,11,13-te...)
Affinity DataIC50: 2.10nMpH: 7.5 T: 2°CAssay 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
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14012(CHEMBL523080 | (5S)-7,31-dioxo-20-oxa-2,6,11,13-te...)
Affinity DataIC50: 94nMAssay 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
In Depth
Date in BDB:
2/27/2007
Entry Details Article
PubMed
LigandPNGBDBM14012(CHEMBL523080 | (5S)-7,31-dioxo-20-oxa-2,6,11,13-te...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed