BindingDB BDBM50403068 CHEMBL2216870::IDELALISIB::US9745321, CAL-101

BDBM50403068 CHEMBL2216870::IDELALISIB::US9745321, CAL-101

SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1

InChI Key InChIKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N

Data 142 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50403068

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

Curated by ChEMBL

BDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)

IC50: 9.70E+3nMAssay Description:Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen 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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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Amgen

Curated by ChEMBL

BDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)

IC50: 2.70nMAssay Description:Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF 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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3D Structure (crystal)

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Amgen

Curated by ChEMBL

BDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)

IC50: 24nMAssay Description:Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen 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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Details Article PubMed PDB

3D Structure (crystal)

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

Curated by ChEMBL

BDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)

IC50: 580nMAssay Description:Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen 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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Details Article PubMed

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

Curated by ChEMBL

BDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)

IC50: 1.40E+3nMAssay Description:Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen 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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Details Article PubMed

Filter my 143 hits

Targets 14▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 40
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 29
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 23
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 20
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 9
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 6
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform 4
- Phosphatidylinositol 3-kinase catalytic subunit type 3 3
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta 3
- DNA-dependent protein kinase catalytic subunit 2
- Phosphatidylinositol 4-kinase alpha 1
- Serine/threonine-protein kinase mTOR 1
- Phosphatidylinositol 4-kinase beta 1
- Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha 1
- ...
Publications 38▿
- Eur J Med Chem 156: 831-846 (2018) 9
- Eur J Med Chem 125: 1156-1171 (2017) 8
- J Med Chem 62: 10402-10422 (2019) 8
- Bioorg Med Chem Lett 30: (2020) 8
- Bioorg Med Chem 26: 2028-2040 (2018) 5
- J Med Chem 64: 8951-8970 (2021) 5
- Bioorg Med Chem Lett 29: 1313-1319 (2019) 5
- Bioorg Med Chem Lett 25: 1104-9 (2015) 5
- Bioorg Med Chem 45: (2021) 4
- Bioorg Med Chem 27: (2019) 4
- J Med Chem 64: 12304-12321 (2021) 4
- Eur J Med Chem 170: 112-125 (2019) 4
- J Med Chem 60: 47-65 (2017) 4
- J Med Chem 63: 441-469 (2020) 4
- J Med Chem 56: 1922-39 (2013) 4
- J Med Chem 60: 1555-1567 (2017) 4
- J Med Chem 62: 4936-4948 (2019) 4
- Eur J Med Chem 151: 9-17 (2018) 4
- Eur J Med Chem 158: 405-413 (2018) 4
- Bioorg Med Chem Lett 27: 2849-2853 (2017) 4
- Bioorg Med Chem 27: (2019) 4
- J Med Chem 60: 5193-5208 (2017) 4
- Eur J Med Chem 163: 413-427 (2019) 4
- Bioorg Med Chem 73: (2022) 3
- J Med Chem 65: 3849-3865 (2022) 3
- ACS Med Chem Lett 6: 3-6 (2015) 3
- J Med Chem 62: 4783-4814 (2019) 3
- J Med Chem 55: 8559-81 (2012) 2
- Eur J Med Chem 214: (2021) 2
- US Patent USRE44599 (2013) 1
- Bioorg Med Chem Lett 27: 1972-1977 (2017) 1
- J Med Chem 62: 10005-10025 (2019) 1
- US Patent US9745321 (2017) 1
- J Med Chem 63: 13973-13993 (2020) 1
- Eur J Med Chem 191: (2020) 1
- Bioorg Med Chem Lett 28: 1005-1010 (2018) 1
- Eur J Med Chem 223: (2021) 1
- US Patent US8586597 (2013) 1
Institutions 30▿
- Xi'An Jiaotong University 14
- Chinese Academy Of Sciences 9
- Bristol-Myers Squibb 8
- Shanghai Institute of Materia Medica (Simm) 8
- University Of Nottingham 8
- Southwest Jiaotong University 8
- Amgen 7
- Zhejiang University 7
- Zydus Research Centre 5
- National Clinical Research Center For Geriatrics 5
- The University Of Arizona 4
- Novartis Institutes For Biomedical Research 4
- China Pharmaceutical University 4
- Hutchison Medipharma 4
- University Of Arkansas For Medical Sciences 4
- Shandong University 4
- Sungkyunkwan University 4
- Curtin University 4
- Inserm 1052/Cnrs 5286/University Of Lyon 4
- Gilead Sciences 4
- Anhui University Of Chinese Medicine 4
- Astrazeneca 3
- Monash University (Parkville Campus) 3
- Icos 2
- Zhengzhou University 2
- Boston University 1
- Shanghai Yingli Pharmaceutical 1
- India Academy Of Scientific & Innovative Research (Acsir) 1
- Fudan University 1
- Hefei Institutes Of Physical Science 1
Affinity: 1 to 9.8E+5 nM▿
- IC50 142
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1