BDBM50597314 CHEMBL5198497

SMILES [H][C@@]12CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCC)NC(=O)[C@]1([H])C[C@@H](CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC2=O)[C@@H](C)CC)OCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O

InChI Key InChIKey=IQVUKEMUENPMIK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50597314   

TargetGTPase KRas(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50597314(CHEMBL5198497)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant biotinylated KRAS G12D mutant (unknown origin) assessed as inhibition of SOS-catalyzed nucleotide exchange preincubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed