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BDBM50315092 (R)-1-(4-(4-(dimethylamino)piperidin-1-yl)phenyl)-3-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)urea::CHEMBL1092044

SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)C1CCOCC1

InChI Key: InChIKey=YHJPQQAQUNHBPK-HSZRJFAPSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315092   
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))
BDBM50315092
PNG
((R)-1-(4-(4-(dimethylamino)piperidin-1-yl)phenyl)-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C33H44N8O3/c1-23-22-44-21-18-41(23)32-37-30(36-31(38-32)25-14-19-43-20-15-25)24-4-6-26(7-5-24)34-33(42)35-27-8-10-29(11-9-27)40-16-12-28(13-17-40)39(2)3/h4-11,23,25,28H,12-22H2,1-3H3,(H2,34,35,42)/t23-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 402n/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)
BDBM50315092
PNG
((R)-1-(4-(4-(dimethylamino)piperidin-1-yl)phenyl)-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C33H44N8O3/c1-23-22-44-21-18-41(23)32-37-30(36-31(38-32)25-14-19-43-20-15-25)24-4-6-26(7-5-24)34-33(42)35-27-8-10-29(11-9-27)40-16-12-28(13-17-40)39(2)3/h4-11,23,25,28H,12-22H2,1-3H3,(H2,34,35,42)/t23-/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