BDBM50604356 CHEMBL5178902

SMILES Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F

InChI Key InChIKey=XXCYDSDPIJJBSI-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50604356   

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

Curated by ChEMBL
LigandPNGBDBM50604356(CHEMBL5178902)
Affinity DataIC50: 14nMAssay 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
LigandPNGBDBM50604356(CHEMBL5178902)
Affinity DataIC50: 32nMAssay Description:Inhibition of recombinant MAT2A (unknown origin) expressed in baculovirus infected Sf9 insect cells using L-methionine as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)