BDBM50655913 CHEMBL6165353

SMILES NC(=S)c1cccc(-c2cn(C3CCOCC3)c3c(Cl)c(CNC(=O)C4CC5(CCN(CCNC(=O)c6nccs6)CC5)C4)ccc23)c1

InChI Key InChIKey=BPGCWHKAMJXFNM-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50655913   

TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655913BDBM50655913(CHEMBL6165353)
Affinity DataIC50: 94nMAssay Description:Inhibition of ASH1L SET domain (2046 to 2330 residues)(unknown origin) incubated for 1 hr by FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655913BDBM50655913(CHEMBL6165353)
Affinity DataIC50: 120nMAssay Description:Inhibition of ASH1L SET domain (2046 to 2330 residues)(unknown origin) incubated for 1 hr by FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655913BDBM50655913(CHEMBL6165353)
Affinity DataIC50: 150nMAssay Description:Inhibition of ASH1L SET domain (2046 to 2330 residues)(unknown origin) using chicken nucleosomes as substrate and [3]SAM as cofactor preincubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655913BDBM50655913(CHEMBL6165353)
Affinity DataKd:  179nMAssay Description:Binding affinity to ASH1L SET domain (2069 to 2288 residues)(unknown origin) assessed as dissociation constant incubated for 20 mins by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed