BDBM50606738 CHEMBL5218590::US11731973, Example 6

SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)nc(N)nc12

InChI Key InChIKey=XGKILEKRCLGRHL-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50606738   

TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM50606738(CHEMBL5218590 | US11731973, Example 6)
Affinity DataKi:  0.5nMAssay Description:The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM50606738(CHEMBL5218590 | US11731973, Example 6)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to mTOR (unknown origin) assessed as inhibition constant measured after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetTarget of rapamycin complex 2 subunit MAPKAP1(Homo sapiens)
University Of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50606738(CHEMBL5218590 | US11731973, Example 6)
Affinity DataIC50:  5.90nMAssay Description:Inhibition of mTORC2 in human A-431 cells assessed as phosphorylated AKT level incubated for 3 hrs by HTRF assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetTarget of rapamycin complex subunit LST8(Homo sapiens)
University Of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM50606738(CHEMBL5218590 | US11731973, Example 6)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of mTORC1 in human A-431 cells assessed as phosphorylated S6RP level incubated for 3 hrs by HTRF assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed