BDBM50535641 CHEMBL4591064::US12091424, Example 2

SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)N1CCCS1(=O)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC

InChI Key InChIKey=RUITWCMYAHZULA-UHFFFAOYSA-N

Data  1 IC50  3 Kd

  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 = 50535641   

TargetSerine/threonine-protein kinase mTOR(Mouse)
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50535641(CHEMBL4591064 | US12091424, Example 2)
Affinity DataIC50: 0.274nMAssay Description:Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Novartis

US Patent
LigandPNGBDBM50535641(CHEMBL4591064 | US12091424, Example 2)
Affinity DataKd:  16nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent

TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Novartis

US Patent
LigandPNGBDBM50535641(CHEMBL4591064 | US12091424, Example 2)
Affinity DataKd: >1.00E+4nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent

TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Novartis

US Patent
LigandPNGBDBM50535641(CHEMBL4591064 | US12091424, Example 2)
Affinity DataKd: >1.00E+4nMAssay Description:N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each prote...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/13/2025
Entry Details
Go to US Patent