Found 12 hits Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM50208517' 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)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description Inhibition of ATM |
Chem Biol 12: 621-37 (2005)
Article DOI: 10.1016/j.chembiol.2005.04.011 BindingDB Entry DOI: 10.7270/Q2R49RR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT... |
J Med Chem 59: 6281-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of ATM kinase |
J Med Chem 50: 1958-72 (2007)
Article DOI: 10.1021/jm061121y BindingDB Entry DOI: 10.7270/Q2FB52MW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human ATM using p53 as substrate preincubated for 10 mins by ELISA |
J Med Chem 59: 559-77 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | 13 | 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 | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HeLa nuclear extract derived ATM using glutathioneS-transferase-p53N66 as substrate preincubated for 10 mins followed by ATP addi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00766 BindingDB Entry DOI: 10.7270/Q2GX4G9M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053 BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| n/a | n/a | 250 | 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 | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of ATM in human U2OS cells assessed as inhibition of p53 phosphorylation at Ser15 residue |
J Med Chem 59: 559-77 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay |
J Med Chem 59: 559-77 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01092 BindingDB Entry DOI: 10.7270/Q2TM7D0W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based... |
J Med Chem 59: 6281-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00519 BindingDB Entry DOI: 10.7270/Q2NV9NR8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |