BDBM50598612 CHEMBL337420

SMILES CN(C)CCc1nnc2cc(-c3ccccc3)c3cc(Cl)ccc3n12

InChI Key InChIKey=LYLASWLQCMKZAT-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50598612   

TargetS-adenosylmethionine synthase isoform type-2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598612(CHEMBL337420)
Affinity DataIC50: 420nMAssay Description:Inhibition of N-terminal TEV cleavable 6His-tagged human MAT2A (1 to 395 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as S-adeno...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetS-adenosylmethionine synthase isoform type-2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598612(CHEMBL337420)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of MAT2A in human NCI-H520 cells transfected with MAT2A empty vector assessed as inhibition of S-adenosyl methionine production measured a...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetS-adenosylmethionine synthase isoform type-2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598612(CHEMBL337420)
Affinity DataIC50: 225nMAssay Description:Inhibition of MAT2A in human Huh-7 cells assessed as inhibition of S-adenosyl methionine production measured after 6 hrs by Rapid Fire Mass Spectrome...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetS-adenosylmethionine synthase isoform type-2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50598612(CHEMBL337420)
Affinity DataIC50: 412nMAssay Description:Inhibition of human MAT2AMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)