new BindingDB logo
myBDB logout

BDBM35580 pyrazolo pyrimidine, 13

SMILES: CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1

InChI Key: InChIKey=YWWJGAYIUGBLMJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 35580   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.520n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)

More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)

More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Wyeth Research



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


J Med Chem 52: 5013-6 (2009)

More data for this
Ligand-Target Pair