BDBM50661687 CHEMBL6147235

SMILES C=CC(=O)Nc1ccc(-c2ccc3nc(CC(=O)Nc4cc(C5CCC5)[nH]n4)cn3n2)cc1F

InChI Key InChIKey=JJNDYWVSOBGLHU-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50661687   

TargetCyclin-dependent kinase 12(Human)
Guizhou Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661687BDBM50661687(CHEMBL6147235)
Affinity DataEC50:  5.40nMAssay Description:Inhibition of CDK12 in human MDA-MB-231 cells incubated for 10 hrsMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCyclin-dependent kinase 13(Human)
Guizhou Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661687BDBM50661687(CHEMBL6147235)
Affinity DataIC50: 12nMAssay Description:Inhibition of CDK13 (unknown origin) using GSRTPMY-NH2 as substrate in presence of ATP by ADP-glo assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCyclin-dependent kinase 12(Human)
Guizhou Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661687BDBM50661687(CHEMBL6147235)
Affinity DataIC50: 16nMAssay Description:Inhibition of CDK12 (unknown origin) using GSRTPMY-NH2 as substrate in presence of ATP by ADP-glo assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCyclin-dependent kinase 12(Human)
Guizhou Medical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661687BDBM50661687(CHEMBL6147235)
Affinity DataEC50:  40nMAssay Description:Inhibition of CDK12 in human MDA-MB-231 cells pretreated with compound for 4 hrs followed by compound washout measured after 3 daysMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed