BindingDB

null

SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1

InChI Key InChIKey=HGVNLRPZOWWDKD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50315213

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

Curated by ChEMBL

BDBM50315213(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)copy SMILEScopy InChI

IC50: 15nMAssay Description:Inhibition of PI3Kbeta (unknown origin) by TR-FRET assayMore 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/Q29W0J00PubMed

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

Curated by ChEMBL

BDBM50315213(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)copy SMILEScopy InChI

IC50: 5nMAssay Description:Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F...More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q29W0J00PubMed

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL

BDBM50315213(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)copy SMILEScopy InChI

IC50: 3.90nMAssay Description:Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F...More data for this Ligand-Target Pair

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

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MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q29W0J00PubMed MMDB
PDB

3D Structure (crystal)

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

Curated by ChEMBL

BDBM50315213(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)copy SMILEScopy InChI

IC50: 21nMAssay Description:Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assayMore data for this Ligand-Target Pair

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

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q29W0J00PubMed

Targets 11 ▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 16
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 14
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 13
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 12
- Serine/threonine-protein kinase mTOR 4
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 3
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta 2
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha 2
- Phosphatidylinositol 3-kinase catalytic subunit type 3 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
- ...
Publications 18 ▿
- J Med Chem 54: 7105-26 (2011) 8
- Eur J Med Chem 158: 707-719 (2018) 5
- Eur J Med Chem 157: 37-49 (2018) 5
- J Med Chem 60: 47-65 (2017) 5
- Nat Chem Biol 6: 117-24 (2010) 4
- J Med Chem 58: 41-71 (2015) 4
- ACS Med Chem Lett 8: 808-813 (2017) 4
- Bioorg Med Chem 20: 1947-51 (2012) 4
- ACS Med Chem Lett 4: 206-210 (2013) 4
- Eur J Med Chem 183: (2019) 4
- ACS Med Chem Lett 6: 3-6 (2015) 4
- Bioorg Med Chem Lett 23: 802-5 (2013) 4
- Bioorg Med Chem Lett 22: 1009-13 (2012) 2
- J Med Chem 55: 8559-81 (2012) 1
- Eur J Med Chem 142: 523-549 (2017) 1
- Eur J Med Chem 151: 237-247 (2018) 1
- Bioorg Med Chem Lett 20: 2644-7 (2010) 1
- Eur J Med Chem 122: 339-351 (2016) 1
Institutions 16 ▿
- [Chongqing University] 10
- [University of Auckland, Monash University (Parkville Campus)] 8
- [University of Auckland, Monash University (Parkville Campus)] 8
- [Curtin University] 5
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [University of Michigan, Ain Shams University, Medical Research Council-Laboratory of Molecular Biology, University Hospital Hradec Kralove , Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics, Monash Institute of Pharmaceutical Sciences] 4
- [S*BIO Pte Ltd] 2
- [Tsinghua University, Monash University, Universit£ degli Studi di Palermo, Wyeth Research, Amgen Inc.] 1
- [Tsinghua University, Monash University, Universit£ degli Studi di Palermo, Wyeth Research, Amgen Inc.] 1
- [Tsinghua University, Monash University, Universit£ degli Studi di Palermo, Wyeth Research, Amgen Inc.] 1
- [Tsinghua University, Monash University, Universit£ degli Studi di Palermo, Wyeth Research, Amgen Inc.] 1
- [Tsinghua University, Monash University, Universit£ degli Studi di Palermo, Wyeth Research, Amgen Inc.] 1
Affinity: 3 to 1.0E+5 nM▿
- IC50 60
- EC50 10
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1