BDBM50571455 CHEMBL4873212::US11685734, Example 1

SMILES c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4

InChI Key InChIKey=NUUYFIBMHLLMSL-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50571455   

TargetSerine-protein kinase ATM(Human)
Chdi Foundation

US Patent

LigandBDBM50571455(CHEMBL4873212 | US11685734, Example 1)Copy SMILESCopy InChI

Affinity DataIC50: 36.2nMAssay Description:ATM: Recombinant, full length human FLAG-tagged ATM activity (Eurofins 14-933) was measured in an ELISA for p53 S15 phosphorylation, in a 384 well V-...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/31/2023
Entry Details
Copy Entry DOIGo to US Patent

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TargetSerine-protein kinase ATM(Human)
Chdi Foundation

US Patent

LigandBDBM50571455(CHEMBL4873212 | US11685734, Example 1)Copy SMILESCopy InChI

Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of ATM in human U2OS cells assessed as reduction in etoposide-stimulated KAP1 phosphorylation incubated for 60 mins by immunoreactivity as...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/20/2022
Entry Details Article
Copy Entry DOIPubMed
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TargetSerine-protein kinase ATM(Human)
Chdi Foundation

US Patent

LigandBDBM50571455(CHEMBL4873212 | US11685734, Example 1)Copy SMILESCopy InChI

Affinity DataKi:  6nMAssay Description:Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/20/2022
Entry Details Article
Copy Entry DOIPubMed
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TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Human)
Charles River

Curated by ChEMBL

LigandBDBM50571455(CHEMBL4873212 | US11685734, Example 1)Copy SMILESCopy InChI

Affinity DataKi:  9nMAssay Description:Inhibition of full length recombinant GST-tagged human VPS34 expressed in baculovirus expression system using PI/PS as substrate incubated for 60 min...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/20/2022
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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