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BDBM35600 pyrazolo pyrimidine, 5e

SMILES: Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1

InChI Key: InChIKey=KSIUPYTYTKLWOL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 35600   
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))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
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Article
PubMed
n/an/a 78n/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: 7081-9 (2009)


Article DOI: 10.1021/jm9012642
BindingDB Entry DOI: 10.7270/Q2NS0S73
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
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antibodypedia
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UniChem

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Article
PubMed
n/an/a 31n/an/an/an/an/a25



Wyeth Research



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


J Med Chem 52: 7081-9 (2009)


Article DOI: 10.1021/jm9012642
BindingDB Entry DOI: 10.7270/Q2NS0S73
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
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Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human TOR in HEK293 cells by DELFIA


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
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Article
PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kgamma by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair