BDBM50345150 (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide::CHEMBL1738705

SMILES Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12

InChI Key InChIKey=WQTXERXALASGRT-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50345150   

TargetHeat shock protein HSP 90-alpha(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50345150((3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14...)
Affinity DataIC50: 96nMAssay Description:Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
LigandPNGBDBM50345150((3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human ERG by HT patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetTyrosine-protein kinase Fyn(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50345150((3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14...)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of FYNMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
LigandPNGBDBM50345150((3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of SRC-related membrane-associated tyrosine kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed