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BDBM50305306 (3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol::CHEMBL589142

SMILES: OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1

InChI Key: InChIKey=NXFHEWHRZWCTEI-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50305306   
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))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 63n/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))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 1.13E+3n/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))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 1.00E+3n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 45n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 1.13E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma by fluorescence polarization format assay


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 634n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 45n/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))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 1.13E+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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 691n/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))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 63n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by fluorescence polarization format assay


J Med Chem 53: 3169-82 (2010)


Article DOI: 10.1021/jm901783v
BindingDB Entry DOI: 10.7270/Q21J99XP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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n/an/a 634n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR by DELFIA


J Med Chem 53: 798-810 (2010)


Article DOI: 10.1021/jm9014982
BindingDB Entry DOI: 10.7270/Q2NZ87RZ
More data for this
Ligand-Target Pair