BDBM50496845 CHEMBL3218642

SMILES [H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O

InChI Key InChIKey=TVXFLZVSTRJBBT-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50496845   

TargetGTPase KRas(Human)
The Ohio State University

Curated by ChEMBL
LigandPNGBDBM50496845(CHEMBL3218642)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of recombinant HA-tagged K-Ras G12V mutant (unknown origin) assessed as disruption of interaction with GST-tagged Raf-RBD after overnight ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed