BDBM50598832 CHEMBL5185146

SMILES Cc1ccc(c(c1n2c(c(c3c2nc4ccc(cc4n3)Br)C(=O)N)N)C)O

InChI Key InChIKey=UYWAHTTZGWQUAI-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50598832   

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Repare Therapeutics

Curated by ChEMBL

LigandBDBM50598832(CHEMBL5185146)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/23/2023
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Repare Therapeutics

Curated by ChEMBL

LigandBDBM50598832(CHEMBL5185146)Copy SMILESCopy InChI

Affinity DataIC50: 360nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/23/2023
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL