BindingDB BDBM15234 (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate::CHEMBL428496::NSC221019::Wortmannin::Wortmannin, Wm::cid

BDBM15234 (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate::CHEMBL428496::NSC221019::Wortmannin::Wortmannin, Wm::cid_312145

SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O

InChI Key InChIKey=QDLHCMPXEPAAMD-QAIWCSMKSA-N

Data 7 KI 49 IC50 5 Kd 2 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 15234

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 1.20nMAssay Description:Inhibition of PI3 kinase p110alpha/p85alpha complexMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 11.9nMAssay Description:Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 1.61E+3nMAssay Description:Inhibition of PI3K p110alpha/p85alpha (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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3D Structure (crystal)

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 10nMAssay Description:Inhibition of human full-length recombinant p110alpha/p85alpha co-expressed in baculovirus expression system using PIP2:PS lipid as substrate incubat...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 99nMpH: 7.4 T: 2°CAssay Description:The luminescence-based kinase assay with recombinant phosphatidylinositol 3-kinase (Upstate Cell Signaling Solutions) was used for the determination ...More data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
State University Of New York-Esf

Curated by ChEMBL

BDBM15234((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)

IC50: 4.20nMpH: 7.4 T: 2°CAssay Description:Ptdlns 3-kinase enzyme activity was assayed by its converting Ptdlns(4,5)P2 into PtdIns(3,4,5)P3 in the presence of radioactive ATP. After reaction,...More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
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3D Structure (crystal)

Filter my 63 hits

Targets 25▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 9
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 6
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 6
- Serine/threonine-protein kinase PLK1 4
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 4
- Serine/threonine-protein kinase PLK3 4
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 4
- Myosin light chain kinase, smooth muscle 4
- Serine/threonine-protein kinase mTOR 3
- Endoribonuclease toxin MazF 2
- DNA-dependent protein kinase catalytic subunit 2
- Bile salt export pump 2
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
- Serine/threonine-protein kinase PLK2 1
- Phosphatidylinositol 3-kinase catalytic subunit type 3 1
- Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
- Serine/threonine-protein kinase PLK4 1
- Phosphatidylinositol 4-kinase type 2-alpha 1
- Endothelial PAS domain-containing protein 1 1
- ATP-binding cassette sub-family C member 3 1
- Phosphatidylinositol 4-kinase alpha 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 1
- Phosphatidylinositol 4-kinase beta 1
- ...
Publications 32▿
- J Med Chem 61: 10463-10472 (2018) 5
- J Med Chem 49: 3857-71 (2006) 4
- J Biol Chem 282: 2505-11 (2007) 4
- J Med Chem 55: 8559-81 (2012) 4
- Toxicol Sci 136: 216-41 (2013) 4
- Bioorg Med Chem Lett 21: 829-35 (2011) 4
- Biochemistry 46: 9551-63 (2007) 4
- Proc Natl Acad Sci U S A 103: 19866-71 (2006) 4
- Bioorg Med Chem Lett 76: (2022) 3
- J Med Chem 48: 569-85 (2005) 2
- Biochem J 408: 297-315 (2007) 2
- J Med Chem 55: 6243-62 (2012) 1
- Bioorg Med Chem Lett 15: 4799-802 (2005) 1
- Eur J Med Chem 60: 187-98 (2013) 1
- J Med Chem 46: 1478-83 (2003) 1
- PubChem Bioassay (2012) 1
- J Med Chem 53: 8523-33 (2010) 1
- Bioorg Med Chem Lett 22: 5352-9 (2012) 1
- Bioorg Med Chem Lett 16: 2518-21 (2006) 1
- Bioorg Med Chem Lett 19: 4223-7 (2009) 1
- Mol Cell 6: 909-19 (2000) 1
- Toxicol Sci 118: 485-500 (2010) 1
- J Med Chem 51: 4699-707 (2008) 1
- J Med Chem 61: 1552-1575 (2018) 1
- Chem Biol 14: 321-8 (2007) 1
- PubChem Bioassay (2011) 1
- Bioorg Med Chem Lett 22: 6919-22 (2012) 1
- Eur J Med Chem 84: 454-65 (2014) 1
- PubChem Bioassay (2011) 1
- Biochem J 351: 95-105 (2001) 1
- Bioorg Med Chem Lett 17: 756-60 (2007) 1
- Bioorg Med Chem 19: 429-39 (2011) 1
Institutions 26▿
- Amgen 9
- University Of California San Diego 5
- Abbott Laboratories 4
- Astrazeneca R & D M£Lndal 4
- Activx Biosciences 4
- Serono Pharmaceutical Research Institute 4
- Targegen 4
- Institute Of Organic Chemistry And Biochemistry Of The Czech Academy Of Sciences 3
- Burnham Center For Chemical Genomics 3
- University Of Dundee 3
- Harvard Medical School 2
- Newcastle University 2
- University Of British Columbia 1
- Pfizer 1
- Northwestern University 1
- Chinese Academy Of Sciences 1
- University Of Connecticut 1
- Chemical Genomics Centre Of The Max Planck Society 1
- Massachusetts General Hospital 1
- Covalution Pharma 1
- The University Of Jordan 1
- Astrazeneca 1
- State University Of New York-Esf 1
- A*Star 1
- Cairo University 1
- Mrc 1
Affinity: 1 to 1.5E+8 nM▿
- Ki 7
- IC50 49
- Kd 5
- EC50 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1