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BDBM50315072 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(2-(dimethylamino)ethoxy)phenyl)urea::CHEMBL1091359

SMILES: CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1

InChI Key: InChIKey=SZQLHKIRUFFCBS-UHFFFAOYNA-N

Data: 2 IC50

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 2 hits for monomerid = 50315072   
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))
BDBM50315072
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)
Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
Show InChI InChI=1/C31H39N7O4/c1-37(2)15-18-42-27-11-7-24(8-12-27)33-31(39)32-23-5-3-21(4-6-23)28-34-29(22-13-16-40-17-14-22)36-30(35-28)38-25-9-10-26(38)20-41-19-25/h3-8,11-12,22,25-26H,9-10,13-20H2,1-2H3,(H2,32,33,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 876n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315072
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(t...)
Show SMILES CN(C)CCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
Show InChI InChI=1/C31H39N7O4/c1-37(2)15-18-42-27-11-7-24(8-12-27)33-31(39)32-23-5-3-21(4-6-23)28-34-29(22-13-16-40-17-14-22)36-30(35-28)38-25-9-10-26(38)20-41-19-25/h3-8,11-12,22,25-26H,9-10,13-20H2,1-2H3,(H2,32,33,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair