BDBM50623207 CHEMBL5419780

SMILES [H][C@]12CN(CC[C@@]1([H])C(=O)O2)c1nc(OCC23CCCN2CCC3)nc2c(F)c(ncc12)-c1cccc2cccc(Cl)c12

InChI Key InChIKey=PUOCGYIRJRNMJS-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50623207   

TargetGTPase KRas(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50623207(CHEMBL5419780)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of GTP-bound KRAS G12S mutant in human A549 cells incubated for 2 hrs by immunoblot analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50623207(CHEMBL5419780)
Affinity DataKi:  2.60E+4nMAssay Description:Reversible inhibition of GDP-bound recombinant human KRAS G12S mutant assessed as inhibition constant by mass spectrometry analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetGTPase KRas(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50623207(CHEMBL5419780)
Affinity DataKi:  2.60E+4nMAssay Description:Binding affinity to human KRAS G12S mutant assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed