BDBM14026 (1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahexacyclo[18.6.2.1^{2,5}.1^{14,18}.0^{8,12}.0^{23,27}]triaconta-8,10,14(29),15,17,20(28),21,23(27)-octaene-17-carbonitrile::CHEMBL465417::Macrocyclic 3-Aminopyrrolidinone analog 86

SMILES O=C1[C@@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13

InChI Key InChIKey=OBKQMZCTGOCMFK-FCHUYYIVSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 14026   

LigandPNGBDBM14026((1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Affinity DataIC50:  4.90nMAssay 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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM14026((1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Affinity DataIC50:  9.10E+3nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM14026((1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Affinity DataIC50:  1.50E+4nMAssay 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
In DepthDetails ArticlePubMed