BDBM50591248 CHEMBL5206992

SMILES Cc1cccc(c1)N(C)C(=O)[C@@H]2[C@@H](CCN2c3c(c(cc(n3)C)C(F)(F)F)C#N)O

InChI Key InChIKey=YHMDHAMZFMNMTF-UHFFFAOYSA-N

Data  2 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50591248   

TargetDNA polymerase theta(Human)
Artios Pharma

Curated by ChEMBL
LigandPNGBDBM50591248(CHEMBL5206992)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of recombinant human full length DNA polymerase theta using DNA substrate measured after 1 hrs in presence of dNTPs by plate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase theta(Human)
Artios Pharma

Curated by ChEMBL
LigandPNGBDBM50591248(CHEMBL5206992)
Affinity DataKd:  4.80nMAssay Description:Displacement of tracer from recombinant Tb-labeled DNA polymerase theta (unknown origin) using DNA as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase theta(Human)
Artios Pharma

Curated by ChEMBL
LigandPNGBDBM50591248(CHEMBL5206992)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human full length DNA polymerase theta ATPase activity by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA polymerase theta(Human)
Artios Pharma

Curated by ChEMBL
LigandPNGBDBM50591248(CHEMBL5206992)
Affinity DataKd:  6.40nMAssay Description:Displacement of tracer from recombinant Tb-labeled DNA polymerase theta (unknown origin) assessed as end point Kd using DNA as substrate preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)