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SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1

InChI Key: InChIKey=YCAGJYZYGLPLRL-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 2 hits for monomerid = 50306635   
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))
BDBM50306635
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C28H35N7O4/c1-2-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)
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 4.58E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306635
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C28H35N7O4/c1-2-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)
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 0.260n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair