BDBM14009 (20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethano-12,14-etheno-6,10-metheno-18H-benz[d]-imidazo[4,3-k][1,6,9,12]oxatriazacyclooctadecosine-9-caronitrile::(5S)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.6.2.1^{2,5}.1^{14,18}.0^{8,12}.0^{23,27}]triaconta-1(27),8,10,14(29),15,17,20(28),21,23,25-decaene-17-carbonitrile::CHEMBL53821::Macrocyclic 3-Aminopyrrolidinone analog 49

SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13

InChI Key InChIKey=USPFJPDEADLGIG-QHCPKHFHSA-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 = 14009   

LigandPNGBDBM14009((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Affinity DataIC50:  3.5nMpH: 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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM14009((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Affinity DataIC50:  1.05E+4nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM14009((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Affinity DataIC50:  3.5nMAssay Description:In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIMMore data for this Ligand-Target Pair
LigandPNGBDBM14009((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Affinity DataIC50:  650nMAssay 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