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Compile Data Set for Download or QSAR

Found 520 hits with Last Name = 'penrose' and Initial = 'sd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550662
PNG
(CHEMBL4748079)
Show SMILES FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1
PDB

UniProtKB/SwissProt

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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550666
PNG
(CHEMBL4788241)
Show SMILES C[C@H]1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 |r|
PDB

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550687
PNG
(CHEMBL4781601)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3cc(OCC4CCOCC4)ccc3Sc12)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550659
PNG
(CHEMBL4763108)
Show SMILES [H][C@@]12CN(CCOc3ccc4Sc5c(Cc4c3)cccc5-c3cc(=O)cc(o3)N3CCOCC3)[C@@]([H])(CO1)C2 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550658
PNG
(CHEMBL4792191)
Show SMILES Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550655
PNG
(CHEMBL4763842)
Show SMILES CC1(CNc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)COC1
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550663
PNG
(CHEMBL4786685)
Show SMILES FC1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1
PDB

UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550673
PNG
(CHEMBL4745255)
Show SMILES C[C@H](CN1CCOCC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550683
PNG
(CHEMBL4763102)
Show SMILES C[C@H](O)COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550654
PNG
(CHEMBL4790714)
Show SMILES CC(=O)Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550653
PNG
(CHEMBL4794627)
Show SMILES O=C(Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)C1CC1
PDB

UniProtKB/SwissProt

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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550676
PNG
(CHEMBL4784220)
Show SMILES C[C@@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550660
PNG
(CHEMBL4783324)
Show SMILES FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
PDB

UniProtKB/SwissProt

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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550665
PNG
(CHEMBL4777914)
Show SMILES CN1CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550674
PNG
(CHEMBL4742203)
Show SMILES C[C@@H](CN1CCOCC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550667
PNG
(CHEMBL4797110)
Show SMILES [H][C@@]12CN(C[C@H](C)Oc3ccc4Sc5c(Cc4c3)cccc5-c3cc(=O)cc(o3)N3CCOCC3)[C@@]([H])(CO1)C2 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550671
PNG
(CHEMBL4751373)
Show SMILES C[C@@H](CN1CCOCC11COC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550686
PNG
(CHEMBL4760480)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3cc(OC4COC4)ccc3Sc12)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550675
PNG
(CHEMBL4797559)
Show SMILES C[C@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550681
PNG
(CHEMBL4761765)
Show SMILES C[C@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1C[C@H](C)O[C@H](C)C1 |r|
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550684
PNG
(CHEMBL4752634)
Show SMILES COC[C@@H](C)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550661
PNG
(CHEMBL4756577)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3cc(OCCN4CCCC44CCOC4)ccc3Sc12)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550668
PNG
(CHEMBL4754219)
Show SMILES C[C@@H](CN1C[C@H](C)O[C@H](C)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550670
PNG
(CHEMBL4759581)
Show SMILES C[C@@H](CN1CCOC2(CC2)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550669
PNG
(CHEMBL4794132)
Show SMILES C[C@H](CN1C[C@H](C)O[C@H](C)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550664
PNG
(CHEMBL4791332)
Show SMILES CC(C)(O)C1CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
PDB

UniProtKB/SwissProt

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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550677
PNG
(CHEMBL4788818)
Show SMILES CN1CC[C@H](C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550685
PNG
(CHEMBL4747809)
Show SMILES O=c1cc(oc(c1)-c1cccc2Cc3cc(OC4CCOCC4)ccc3Sc12)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550682
PNG
(CHEMBL4760622)
Show SMILES CO[C@@H](C)COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550680
PNG
(CHEMBL4788662)
Show SMILES FC(F)CN1CC(C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550691
PNG
(CHEMBL4783046)
Show SMILES COC[C@H]1c2cc(OC)ccc2Sc2c1cccc2-c1cc(=O)cc(o1)N1CCOCC1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550657
PNG
(CHEMBL4792737)
Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50059640
PNG
(CHEMBL2140173)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1
Show InChI InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ATM (unknown origin) by biochemical assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550679
PNG
(CHEMBL4740512)
Show SMILES CCN1CC(C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50550652
PNG
(CHEMBL4792283)
Show SMILES O=C(CN1CCCC1)Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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TBA

Assay Description
Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01819
BindingDB Entry DOI: 10.7270/Q29G5RF2
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293916
PNG
((S)-1-(3,4-Difluoro-2- methylphenyl)-N- hydroxy-3-...)
Show SMILES Cc1c(F)c(F)ccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:13|
Show InChI InChI=1S/C21H19F2N3O2/c1-12-16(5-6-17(22)19(12)23)21(20(27)25-28)8-7-14(10-21)13-3-4-15-11-24-26(2)18(15)9-13/h3-6,9-11,28H,7-8H2,1-2H3,(H,25,27)/t21-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293886
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nccnc2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C21H18FN3O2/c1-13-16(3-2-4-17(13)22)21(20(26)25-27)8-7-15(12-21)14-5-6-18-19(11-14)24-10-9-23-18/h2-6,9-12,27H,7-8H2,1H3,(H,25,26)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293895
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(imi...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccn2ccnc2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C20H18FN3O2/c1-13-16(3-2-4-17(13)21)20(19(25)23-26)7-5-15(12-20)14-6-9-24-10-8-22-18(24)11-14/h2-4,6,8-12,26H,5,7H2,1H3,(H,23,25)/t20-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293899
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1ccc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8|
Show InChI InChI=1S/C19H19FN2O2/c1-12-6-7-15(11-21-12)14-8-9-19(10-14,18(23)22-24)16-4-3-5-17(20)13(16)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293900
PNG
((S)-3-(5-Chloro-6- methylpyridin-3-yl)-1-(3- fluor...)
Show SMILES Cc1ncc(cc1Cl)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:9|
Show InChI InChI=1S/C19H18ClFN2O2/c1-11-15(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)14-8-16(20)12(2)22-10-14/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293911
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1ncccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8|
Show InChI InChI=1S/C19H19FN2O2/c1-12-16(6-3-7-17(12)20)19(18(23)22-24)9-8-14(11-19)15-5-4-10-21-13(15)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293912
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293914
PNG
((S)-3-(Benzo[d]thiazol-5- yl)-1-(3-fluoro-2- methy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2scnc2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C20H17FN2O2S/c1-12-15(3-2-4-16(12)21)20(19(24)23-25)8-7-14(10-20)13-5-6-18-17(9-13)22-11-26-18/h2-6,9-11,25H,7-8H2,1H3,(H,23,24)/t20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293916
PNG
((S)-1-(3,4-Difluoro-2- methylphenyl)-N- hydroxy-3-...)
Show SMILES Cc1c(F)c(F)ccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO |r,c:13|
Show InChI InChI=1S/C21H19F2N3O2/c1-12-16(5-6-17(22)19(12)23)21(20(27)25-28)8-7-14(10-21)13-3-4-15-11-24-26(2)18(15)9-13/h3-6,9-11,28H,7-8H2,1-2H3,(H,25,27)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)


BindingDB Entry DOI: 10.7270/Q2DN4743
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293880
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(F)c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C18H16F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293886
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nccnc2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C21H18FN3O2/c1-13-16(3-2-4-17(13)22)21(20(26)25-27)8-7-15(12-21)14-5-6-18-19(11-14)24-10-9-23-18/h2-6,9-12,27H,7-8H2,1H3,(H,25,26)/t21-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293895
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(imi...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccn2ccnc2c1)C(=O)NO |r,c:12|
Show InChI InChI=1S/C20H18FN3O2/c1-13-16(3-2-4-17(13)21)20(19(25)23-26)7-5-15(12-20)14-6-9-24-10-8-22-18(24)11-14/h2-4,6,8-12,26H,5,7H2,1H3,(H,23,25)/t20-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293899
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1ccc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8|
Show InChI InChI=1S/C19H19FN2O2/c1-12-6-7-15(11-21-12)14-8-9-19(10-14,18(23)22-24)16-4-3-5-17(20)13(16)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293900
PNG
((S)-3-(5-Chloro-6- methylpyridin-3-yl)-1-(3- fluor...)
Show SMILES Cc1ncc(cc1Cl)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:9|
Show InChI InChI=1S/C19H18ClFN2O2/c1-11-15(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)14-8-16(20)12(2)22-10-14/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293911
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1ncccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C |r,t:8|
Show InChI InChI=1S/C19H19FN2O2/c1-12-16(6-3-7-17(12)20)19(18(23)22-24)9-8-14(11-19)15-5-4-10-21-13(15)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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CHDI FOUNDATION, INC.

US Patent


Assay Description
5 μl of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the...


US Patent US10106535 (2018)


BindingDB Entry DOI: 10.7270/Q2F47R6G
More data for this
Ligand-Target Pair
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