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SMILES: COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1

InChI Key: InChIKey=QXENEAFPGMVLAD-BQYQJAHWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50467362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50467362
PNG
(CHEMBL4287949)
Show SMILES COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1
Show InChI InChI=1S/C26H33NO7/c1-27-11-9-16(10-12-27)24-22(33-5)15-23(34-6)25(26(24)29)19(28)8-7-18-20(31-3)13-17(30-2)14-21(18)32-4/h7-8,13-16,29H,9-12H2,1-6H3/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM 1052/CNRS 5286/University of Lyon

Curated by ChEMBL


Assay Description
Inhibition of PI3KCalpha/PIK3R1 (unknown origin)


Eur J Med Chem 158: 405-413 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.033
BindingDB Entry DOI: 10.7270/Q2KS6V81
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50467362
PNG
(CHEMBL4287949)
Show SMILES COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1
Show InChI InChI=1S/C26H33NO7/c1-27-11-9-16(10-12-27)24-22(33-5)15-23(34-6)25(26(24)29)19(28)8-7-18-20(31-3)13-17(30-2)14-21(18)32-4/h7-8,13-16,29H,9-12H2,1-6H3/b8-7+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



INSERM 1052/CNRS 5286/University of Lyon

Curated by ChEMBL


Assay Description
Inhibition of PI3KCgamma (unknown origin)


Eur J Med Chem 158: 405-413 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.033
BindingDB Entry DOI: 10.7270/Q2KS6V81
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50467362
PNG
(CHEMBL4287949)
Show SMILES COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1
Show InChI InChI=1S/C26H33NO7/c1-27-11-9-16(10-12-27)24-22(33-5)15-23(34-6)25(26(24)29)19(28)8-7-18-20(31-3)13-17(30-2)14-21(18)32-4/h7-8,13-16,29H,9-12H2,1-6H3/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



INSERM 1052/CNRS 5286/University of Lyon

Curated by ChEMBL


Assay Description
Inhibition of PI3KCdelta/PIK3R1 (unknown origin)


Eur J Med Chem 158: 405-413 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.033
BindingDB Entry DOI: 10.7270/Q2KS6V81
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50467362
PNG
(CHEMBL4287949)
Show SMILES COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1
Show InChI InChI=1S/C26H33NO7/c1-27-11-9-16(10-12-27)24-22(33-5)15-23(34-6)25(26(24)29)19(28)8-7-18-20(31-3)13-17(30-2)14-21(18)32-4/h7-8,13-16,29H,9-12H2,1-6H3/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM 1052/CNRS 5286/University of Lyon

Curated by ChEMBL


Assay Description
Inhibition of PI3KCbeta/PIK3R1 (unknown origin)


Eur J Med Chem 158: 405-413 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.033
BindingDB Entry DOI: 10.7270/Q2KS6V81
More data for this
Ligand-Target Pair