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BDBM35590 pyrazolo pyrimidine, 22

SMILES: COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1

InChI Key: InChIKey=DDTZRQUKUGXHGI-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 35590   
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))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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Article
PubMed
n/an/a 0.610n/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
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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PubMed
n/an/a 505n/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
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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PubMed
n/an/a 4.15E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ATR by DELFIA assay


J Med Chem 52: 8010-24 (2009)

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


(Homo sapiens (human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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PubMed
n/an/a 505n/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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma 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))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
PDB
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UniChem

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Article
PubMed
n/an/a 0.600n/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