BDBM50561645 CHEMBL4760058

SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key InChIKey=SERULMRLVCAUSP-UHFFFAOYSA-N

Data  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50561645   

TargetGTPase KRas(Human)
Msd

Curated by ChEMBL
LigandPNGBDBM50561645(CHEMBL4760058)
Affinity DataKd:  430nMAssay Description:Binding affinity to wild type KRAS (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Msd

Curated by ChEMBL
LigandPNGBDBM50561645(CHEMBL4760058)
Affinity DataKd:  430nMAssay Description:Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed