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SMILES: CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1

InChI Key: InChIKey=WOQDAYPPCSYMGN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50327429   
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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50327429
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha


Bioorg Med Chem Lett 20: 5869-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327429
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 5869-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50327429
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-mo...)
Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C30H38N8O4/c1-36(2)13-18-42-26-11-7-23(8-12-26)32-30(39)31-22-5-3-21(4-6-22)27-33-28(37-14-16-40-17-15-37)35-29(34-27)38-24-9-10-25(38)20-41-19-24/h3-8,11-12,24-25H,9-10,13-20H2,1-2H3,(H2,31,32,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma


Bioorg Med Chem Lett 20: 5869-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.104
BindingDB Entry DOI: 10.7270/Q2XP755V
More data for this
Ligand-Target Pair