BindingDB

null

SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

InChI Key InChIKey=CZQHHVNHHHRRDU-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12915

DNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
University of Newcastle

Curated by ChEMBL

BDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)copy SMILEScopy InChI

IC50: 1.20E+3nMAssay Description:Inhibitory activity against DNA-dependent protein kinase (DNA-PK)More data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q22J6BBNPubMed

Serine/threonine-protein kinase mTOR(Homo sapiens (Human))
University of Newcastle

Curated by ChEMBL

BDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)copy SMILEScopy InChI

IC50: 2.50E+3nMAssay Description:Inhibition of Mammalian target of Rapamycin mTORMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q22J6BBNPubMed

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
University of Newcastle

Curated by ChEMBL

BDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)copy SMILEScopy InChI

IC50: 2.30E+3nMAssay Description:Inhibition of Phosphatidylinositol 3-kinase p110 alpha subunitMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q22J6BBNPubMed

Serine-protein kinase ATM(Homo sapiens (Human))
University of Newcastle

Curated by ChEMBL

BDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)copy SMILEScopy InChI

IC50: 1.00E+5nMAssay Description:Inhibition of Mutated in ataxia telangiectasia protein ATM kinaseMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q22J6BBNPubMed

Serine/threonine-protein kinase ATR(Homo sapiens (Human))
University of Newcastle

Curated by ChEMBL

BDBM12915(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)copy SMILEScopy InChI

IC50: 1.00E+5nMAssay Description:Inhibition of Ataxia telangiectasia related protein ATR kinaseMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

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Details Article
BindingDB Entry DOI: 10.7270/Q22J6BBNPubMed

Targets 34 ▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 31
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 20
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 20
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 18
- DNA-dependent protein kinase catalytic subunit 14
- Serine/threonine-protein kinase mTOR 11
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta 4
- Serine/threonine-protein kinase PLK1 3
- Serine-protein kinase ATM 3
- Serine/threonine-protein kinase PLK3 3
- Serine/threonine-protein kinase pim-1 3
- Serine/threonine-protein kinase ATR 3
- Phosphatidylinositol 3-kinase regulatory subunit alpha 2
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
- Bromodomain-containing protein 4 1
- Serine/threonine-protein kinase PLK2 1
- Bromodomain-containing protein 3 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
- Platelet-derived growth factor receptor alpha/beta 1
- Serine/threonine-protein kinase PLK4 1
- Bromodomain-containing protein 2 1
- Bromodomain-containing protein 4 [75-147] 1
- Bromodomain-containing protein 4 [349-460] 1
- Serine/threonine-protein kinase pim-3 1
- cGMP-dependent 3',5'-cyclic phosphodiesterase 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha 1
- Bromodomain-containing protein 4 [368-440] 1
- Phosphatidylinositol 3-kinase regulatory subunit beta 1
- cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B 1
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 1
- Bromodomain testis-specific protein 1
- Bromodomain-containing protein 4 [44-167] 1
- Glycogen synthase kinase-3 beta 1
- ...
Publications 47 ▿
- J Med Chem 56: 6386-401 (2013) 9
- US Patent US9505780 (2016) 6
- J Med Chem 58: 41-71 (2015) 6
- J Med Chem 48: 569-85 (2005) 6
- J Med Chem 50: 2647-54 (2007) 6
- Nat Rev Drug Discov 16: 424-440 (2017) 6
- Bioorg Med Chem Lett 14: 6083-7 (2004) 5
- Eur J Med Chem 182: (2019) 5
- Eur J Med Chem 110: 326-39 (2016) 5
- J Med Chem 56: 1922-39 (2013) 5
- Bioorg Med Chem 15: 5837-44 (2007) 4
- Bioorg Med Chem 23: 1231-40 (2015) 4
- J Med Chem 49: 3857-71 (2006) 4
- Bioorg Med Chem Lett 17: 2438-42 (2007) 4
- J Med Chem 55: 8559-81 (2012) 4
- ACS Med Chem Lett 6: 3-6 (2015) 4
- Biochemistry 46: 9551-63 (2007) 4
- Bioorg Med Chem 27: 2261-2267 (2019) 4
- Proc Natl Acad Sci U S A 103: 19866-71 (2006) 4
- Bioorg Med Chem 15: 403-12 (2007) 4
- J Biol Chem 282: 2505-11 (2007) 3
- Bioorg Med Chem 20: 3359-67 (2012) 3
- Biochem J 408: 297-315 (2007) 3
- Bioorg Med Chem Lett 19: 5842-7 (2009) 3
- Bioorg Med Chem Lett 13: 3083-6 (2003) 2
- Bioorg Med Chem Lett 14: 2847-51 (2004) 2
- Bioorg Med Chem Lett 21: 966-70 (2011) 2
- Bioorg Med Chem Lett 19: 2215-9 (2009) 2
- Bioorg Med Chem 19: 6760-7 (2011) 1
- J Med Chem 53: 8523-33 (2010) 1
- Bioorg Med Chem Lett 11: 2837-41 (2001) 1
- Bioorg Med Chem Lett 22: 5352-9 (2012) 1
- Bioorg Med Chem 20: 2837-44 (2012) 1
- Proc Natl Acad Sci USA 104: 20523-8 (2007) 1
- J Med Chem 48: 7829-46 (2005) 1
- Bioorg Med Chem 19: 1915-23 (2011) 1
- Eur J Med Chem 108: 586-93 (2016) 1
- J Biol Chem 282: 24463-70 (2007) 1
- Mol Cell 6: 909-19 (2000) 1
- Bioorg Med Chem Lett 18: 4885-90 (2008) 1
- Eur J Med Chem 102: 600-10 (2015) 1
- J Med Chem 51: 2147-57 (2008) 1
- Eur J Med Chem 84: 454-65 (2014) 1
- Bioorg Med Chem Lett 20: 3649-53 (2010) 1
- Biochem J 351: 95-105 (2001) 1
- J Biol Chem 280: 13728-34 (2005) 1
- Bioorg Med Chem Lett 17: 756-60 (2007) 1
Institutions 34 ▿
- [Newcastle University] 13
- [Astellas Pharma Inc.] 12
- [School of Traditional Chinese Pharmacy] 9
- [The University, Pfizer, University of Newcastle, Nanjing University] 7
- [The University, Pfizer, University of Newcastle, Nanjing University] 7
- [The University, Pfizer, University of Newcastle, Nanjing University] 7
- [The University, Pfizer, University of Newcastle, Nanjing University] 7
- [The University of Sydney, University Hospital Hradec Kralove , SignalRx Pharmaceuticals, Inc.] 6
- [The University of Sydney, University Hospital Hradec Kralove , SignalRx Pharmaceuticals, Inc.] 6
- [The University of Sydney, University Hospital Hradec Kralove , SignalRx Pharmaceuticals, Inc.] 6
- [La Trobe University, The University of Arizona] 5
- [La Trobe University, The University of Arizona] 5
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Abbott Laboratories, TargeGen Inc., Monash University (Parkville Campus), University of Dundee, Amgen Inc., Serono Pharmaceutical Research Institute] 4
- [Hanyang University, University of Auckland, ActivX Biosciences, Inc.] 3
- [Hanyang University, University of Auckland, ActivX Biosciences, Inc.] 3
- [Hanyang University, University of Auckland, ActivX Biosciences, Inc.] 3
- [Monash University, University of Cincinnati] 2
- [Monash University, University of Cincinnati] 2
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
- [Vertex Pharmaceuticals, Stony Brook University, The University of Jordan, The Institute of Cancer Research, University of British Columbia, Anhui Agricultural University, School of Natural Sciences--Chemistry, AstraZeneca, University of Oxford, Zhejiang University, MRC] 1
Affinity: 2.0E+2 to 1.0E+5 nM▿
- Ki 8
- IC50 148
- Kd 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1