BDBM50529398 CHEMBL4549761::US11731973, Example 31

SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12

InChI Key InChIKey=YDFGZXSSYDSJRM-UHFFFAOYSA-N

Data  3 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50529398   

TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Nestl�

Curated by ChEMBL
LigandPNGBDBM50529398(CHEMBL4549761 | US11731973, Example 31)
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Nestl�

Curated by ChEMBL
LigandPNGBDBM50529398(CHEMBL4549761 | US11731973, Example 31)
Affinity DataKi:  10nMAssay 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 sidPDB
In DepthDetails US Patent
LigandPNGBDBM50529398(CHEMBL4549761 | US11731973, Example 31)
Affinity DataKi:  920nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTarget of rapamycin complex 2 subunit MAPKAP1(Homo sapiens)
Nestl�

Curated by ChEMBL
LigandPNGBDBM50529398(CHEMBL4549761 | US11731973, Example 31)
Affinity DataIC50:  20nMAssay Description:Inhibition of mTORC2 in human A431 cells assessed as AKT phosphorylation at S473 residue incubated for 3 hrs by HTRF assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetTarget of rapamycin complex subunit LST8(Homo sapiens)
Nestl�

Curated by ChEMBL
LigandPNGBDBM50529398(CHEMBL4549761 | US11731973, Example 31)
Affinity DataIC50:  8nMAssay Description:Inhibition of mTORC1 in human A431 cells assessed as S6RP phosphorylation incubated for 3 hrs by HTRF assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed