Found 7 hits Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM50059640' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50059640
(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+ | PDB
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| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ability to inhibit U-46,619-induced contraction of isolated strips of rabbit thoracic aorta, which is the measure of thromboxane receptor antagonism |
Citation and Details
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Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50059640
(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+ | PDB
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of ATM kinase in human glioma cells |
J Med Chem 58: 41-71 (2015)
Article DOI: 10.1021/jm501026z
BindingDB Entry DOI: 10.7270/Q2P84DJ7 |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50059640
(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+ | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50059640
(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+ | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50059640
(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+ | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114196
BindingDB Entry DOI: 10.7270/Q27P93GM |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50059640
(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+ | PDB
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| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ATM in human MCF7 cells assessed as reduction in etoposide-stimulated KAP1 phosphorylation incubated for 1 hr by ICW 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)) | BDBM50059640
(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+ | PDB
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CHEMBL
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| | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat neutrophil 5- Lipoxygenase (5-LO) |
Citation and Details
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More data for this
Ligand-Target Pair | |
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