BDBM50604348 CHEMBL5170690

SMILES COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F

InChI Key InChIKey=QHXQQFITXAUNPR-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50604348   

TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50604348BDBM50604348(CHEMBL5170690)
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50604348BDBM50604348(CHEMBL5170690)
Affinity DataIC50: 34nMAssay Description:Inhibition of MT2A in MTAP-null human HCT-116 cells after 72 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50604348BDBM50604348(CHEMBL5170690)
Affinity DataIC50: 56nMAssay Description:Inhibition of MAT2A (unknown origin) using L-methionine and ATP as substrate preincubated with compound for 10 mins followed by substrate addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)