BDBM50597319 CHEMBL5189930

SMILES [H][C@@]12CCCN1C(=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)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)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)[C@@H](C)CC

InChI Key InChIKey=NNJJOEPJCLFCOY-JPAHCMANSA-N

Data  3 IC50

  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 3 hits for monomerid = 50597319   

TargetGTPase KRas(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50597319(CHEMBL5189930)
Affinity DataIC50: <1nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetGTPase KRas(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50597319(CHEMBL5189930)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of KRAS in human ASPC1 cells harboring KRAS G12D mutant assessed as inhibition of ERK phosphorylation incubated for 18 hrs by AlphaScreen-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetGTPase KRas(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50597319(CHEMBL5189930)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of KRAS in human ASPC1 cells harboring KRAS G12D mutant assessed as inhibition of ERK phosphorylation incubated for 2 hrs by AlphaScreen-b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed