BDBM50646360 CHEMBL5085204

SMILES CN1CC(C(=O)NCc2ccc3c(-c4cccc(C(N)=S)c4)cn(C4CCN(S(=O)(=O)C(F)(F)F)CC4)c3c2)C1

InChI Key InChIKey=VPQCHIWQHIOPQS-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50646360   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 790nMAssay Description:Inhibition of N-terminal ASH1L SET domain (2069 to 2288) (unknown origin) extracted from Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 790nMAssay 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 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 790nMAssay Description:Inhibition of N-terminal ASH1L SET domain (2069 to 2288) (unknown origin) extracted from Escherichia coli BL21 incubated for 60 mins by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase ASH1L(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 790nMAssay Description:Inhibition of ASH1L SET domain (2069 to 2288 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 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 830nMAssay 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 50646360BDBM50646360(CHEMBL5085204)
Affinity DataIC50: 833nMAssay Description:Binding affinity to ASH1L SET domain (2046 to 2330 residues)(unknown origin) assessed as dissociation constant 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 50646360BDBM50646360(CHEMBL5085204)
Affinity DataKd:  890nMAssay Description:Binding affinity to ASH1L SET domain (2069 to 2288 residues)(unknown origin) using SAM as substrate assessed as dissociation constant incubated for 2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed