BDBM50616040 CHEMBL5418335

SMILES C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C)/C)O)OC)C)C)/C)OC

InChI Key InChIKey=IONVFRIQYMBCJN-UHFFFAOYSA-N

Data  2 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  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 = 50616040   

TargetTarget of rapamycin complex subunit LST8(Human)
Revolution Medicines

Curated by ChEMBL
LigandPNGBDBM50616040(CHEMBL5418335)
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in P70S6K phosphorylation at Thr389 by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTarget of rapamycin complex subunit LST8(Human)
Revolution Medicines

Curated by ChEMBL
LigandPNGBDBM50616040(CHEMBL5418335)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in 4EBP1 phosphorylation at Thr37/46 by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Revolution Medicines

Curated by ChEMBL
LigandPNGBDBM50616040(CHEMBL5418335)
Affinity DataEC50: <10nMAssay Description:Inhibition of recombinant human EmGFP fused FKBP12/GST-tagged human mTOR (1360 to 2549 residues) FRB domain incubated for 1 hrs by LanthaScreen based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed