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BDBM50305301 3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol::CHEMBL596533

SMILES: Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1

InChI Key: InChIKey=CIYPRIYMRXXGKK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50305301   
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))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 140n/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 alpha isoform


(Homo sapiens (Human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 80n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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n/an/a 1.08E+4n/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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305301
PNG
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-puri...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(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)24-27(30-25)33(19-28-24)22-9-11-31(12-10-22)18-20-5-2-1-3-6-20/h1-8,17,19,22,34H,9-16,18H2
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PubMed
n/an/a 140n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair