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BDBM50315098 1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)urea::CHEMBL1092034

SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C

InChI Key: InChIKey=UTIWIXSCWJJPJB-FGZHOGPDSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315098   
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))
BDBM50315098
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C30H40N10O3/c1-21-19-42-16-14-39(21)28-34-27(35-29(36-28)40-15-17-43-20-22(40)2)23-4-6-24(7-5-23)32-30(41)33-25-8-9-26(31-18-25)38-12-10-37(3)11-13-38/h4-9,18,21-22H,10-17,19-20H2,1-3H3,(H2,32,33,41)/t21-,22-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 846n/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)
BDBM50315098
PNG
(1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazi...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C30H40N10O3/c1-21-19-42-16-14-39(21)28-34-27(35-29(36-28)40-15-17-43-20-22(40)2)23-4-6-24(7-5-23)32-30(41)33-25-8-9-26(31-18-25)38-12-10-37(3)11-13-38/h4-9,18,21-22H,10-17,19-20H2,1-3H3,(H2,32,33,41)/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/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