BDBM48804 3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-quinazolinone::3-(phenylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one::3-benzyl-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-4-one::3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one::MLS000709026::SMR000289793::cid_5738263

SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12

InChI Key InChIKey=GEKDQXSPTHHANP-UHFFFAOYSA-N

Data  10 IC50  2 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 48804   

TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 3.20E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataKd:  5.60E+3nMAssay Description:Binding affinity to human RAD51 in absence of ATP by SPR methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCell cycle checkpoint protein RAD1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataKd:  5.60E+3nMAssay Description:Binding affinity to RAD1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 5.77E+3nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human RAD51More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataKd:  1.46E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 1.77E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
TargetCell cycle checkpoint protein RAD1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataEC50:  2.70E+4nMAssay Description:Inhibition of RAD1 (unknown origin) binding to ssDNAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 2.74E+4nMAssay Description:Inhibition of human RAD51 using 90-mer ssDNA as substrate measured after 30 mins by D-loop assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 2.74E+4nMAssay Description:Inhibition of RAD51 (unknown origin) using 32P-labeled 90 mer ssDNA as substrate assessed as reduction in DNA D-loop formation preincubated for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of human RAD51-mediated DNA strand exchange at using pBSK (+) gapped and linear dsDNA substrates by joint molecule formation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of human RAD51-mediated DNA branch migration using [32P]-labeled 5'-joint molecules after 8 hrs by branch migration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 3.70E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetDNA repair protein RAD51 homolog 1(Human)
Drexel University College of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 4.25E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 48804BDBM48804(MLS000709026 | 3-(phenylmethyl)-2-[(E)-2-pyridin-3...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay