BindingDB BDBM50315213 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole::4,4'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine::CHEMBL586702::TCMDC-137004

BDBM50315213 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole::4,4'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine::CHEMBL586702::TCMDC-137004

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

InChI Key InChIKey=HGVNLRPZOWWDKD-UHFFFAOYSA-N

Data 60 IC50 10 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50315213

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

Curated by ChEMBL

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

IC50: 58nMAssay Description:Inhibition of human His-tagged PI3K p110beta after 2 hrs by HTRF assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 44nMAssay Description:Inhibition of PI3K p110beta (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 44nMAssay Description:Inhibition of p110betaMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 58nMAssay Description:Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimagingMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 44nMAssay Description:Inhibition of recombinant PI3Kbeta HTRF assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 6nMAssay Description:Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 6nMAssay Description:Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 6nMAssay Description:Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

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

Curated by ChEMBL

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

EC50: 44nMAssay Description:Inhibition of PI3K-beta (unknown origin) after 40 mins by Kinase-Glo assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

EC50: 44nMAssay Description:Inhibition of PI3Kbeta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 44nMAssay Description:Competitive inhibition of PI3Kbeta (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 15nMAssay Description:Inhibition of human PI3Kbeta by TR-FRET based Adapta assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL

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

IC50: 44nMAssay Description:Inhibition of choline acetyltransferase (ChAT) activityMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
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Filter my 70 hits

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 19▿
- 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
- Eur J Med Chem 229: (2022) 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 17▿
- Chongqing University 10
- Monash University (Parkville Campus) 8
- University Of Auckland 8
- Curtin University 5
- Medical Research Council-Laboratory Of Molecular Biology 4
- Ain Shams University 4
- University Hospital Hradec Kralove 4
- Monash Institute Of Pharmaceutical Sciences 4
- The University Of Michigan Medical School 4
- University Of Michigan 4
- Tianjin Key Laboratory On Technologies Enabling Development Of Clinical Therapeutics And Diagnostics 4
- S*Bio 2
- Amgen 1
- Tsinghua University 1
- Monash University 1
- Universit£ 1
- Wyeth Research 1
Affinity: 3 to 1.0E+5 nM▿
- IC50 60
- EC50 10
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1