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BDBM50315094 1-(4-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea::CHEMBL1091665

SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C[C@@H]2C[C@H]1CO2

InChI Key: InChIKey=XMMFMVWGYWXPAF-MZNXPRMRNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315094   
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))
BDBM50315094
PNG
(1-(4-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C[C@@H]2C[C@H]1CO2
Show InChI InChI=1/C25H28N8O3/c1-16-14-35-10-9-32(16)23-29-22(30-24(31-23)33-13-21-11-20(33)15-36-21)17-4-6-18(7-5-17)27-25(34)28-19-3-2-8-26-12-19/h2-8,12,16,20-21H,9-11,13-15H2,1H3,(H2,27,28,34)/t16-,20+,21+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Rattus norvegicus)
BDBM50315094
PNG
(1-(4-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C[C@@H]2C[C@H]1CO2
Show InChI InChI=1/C25H28N8O3/c1-16-14-35-10-9-32(16)23-29-22(30-24(31-23)33-13-21-11-20(33)15-36-21)17-4-6-18(7-5-17)27-25(34)28-19-3-2-8-26-12-19/h2-8,12,16,20-21H,9-11,13-15H2,1H3,(H2,27,28,34)/t16-,20+,21+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair