BDBM50598833 CHEMBL5181222

SMILES Cc1ccc(c(c1n2c(c(c3c2nc4cccc(c4n3)Br)C(=O)N)N)C)O

InChI Key InChIKey=KZBOZXNEKFYHQT-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50598833   

LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 9nMAssay Description:Inhibition of full length Nano-luc fused PKMYT1 in human HEK-293T cells incubated for 2 hrs by cell based NanoBRET target engagement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 3nMAssay Description:Inhibition of N-terminal human recombinant PKMYT1 (76 to 362 residues) expressed in Escherichia coli (DE3) RIL preincubated with compound for 15 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Repare Therapeutics

Curated by ChEMBL
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Repare Therapeutics

Curated by ChEMBL
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Repare Therapeutics

Curated by ChEMBL
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 21nMAssay Description:Inhibition of N-terminal recombinant PKMYT1 (76 to 362 residues) in CCNE1 amplified human FU-OV-1 cells assessed as phosphorylation of CDK1 at Thr14 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50598833(CHEMBL5181222)
Affinity DataIC50: 20nMAssay Description:Inhibition of N-terminal recombinant PKMYT1 (76 to 362 residues) in CCNE1 amplified human FU-OV-1 cells assessed as phosphorylation of CDK1 at Thr14 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)