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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'al-rawi' and Initial = 'jm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 4.5n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50319926
PNG
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)
Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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n/an/a 5n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 8.30n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 9n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 26n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50156495
PNG
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)
Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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n/an/a 30n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147675
PNG
(CHEMBL3764883)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
Show InChI InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2
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n/an/a 34n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50401463
PNG
(CHEMBL1276684)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-3-2-6-20-11-14)5-4-15-17(13)26-19(21-18(15)23)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50401463
PNG
(CHEMBL1276684)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-3-2-6-20-11-14)5-4-15-17(13)26-19(21-18(15)23)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 140n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147674
PNG
(CHEMBL3763392)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c1oc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C24H18N2O4/c27-23-19-9-4-8-18(22(19)30-24(25-23)26-11-13-28-14-12-26)17-7-3-6-16-15-5-1-2-10-20(15)29-21(16)17/h1-10H,11-14H2
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n/an/a 269n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401463
PNG
(CHEMBL1276684)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-3-2-6-20-11-14)5-4-15-17(13)26-19(21-18(15)23)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 280n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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n/an/a 300n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 300n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401462
PNG
(CHEMBL1276718)
Show SMILES O=c1nc(oc2c(OCc3cccnc3)cccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-14-4-1-5-15(24-12-13-3-2-6-19-11-13)16(14)25-18(20-17)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
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n/an/a 360n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401468
PNG
(CHEMBL244672)
Show SMILES CN1CCN(CCOc2ccc3c(oc(nc3=O)N3CCOCC3)c2C)CC1
Show InChI InChI=1S/C20H28N4O4/c1-15-17(27-14-9-23-7-5-22(2)6-8-23)4-3-16-18(15)28-20(21-19(16)25)24-10-12-26-13-11-24/h3-4H,5-14H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50401450
PNG
(CHEMBL2204552)
Show SMILES Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16FN3O3/c19-15-10-11(20)4-5-12(15)13-2-1-3-14-16(13)25-18(21-17(14)23)22-6-8-24-9-7-22/h1-5,10H,6-9,20H2
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n/an/a 540n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147680
PNG
(CHEMBL3763722)
Show SMILES Clc1cc(-c2cccc3c4ccccc4sc23)c2oc(nc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C24H17ClN2O3S/c25-14-12-18(17-6-3-5-16-15-4-1-2-7-20(15)31-22(16)17)21-19(13-14)23(28)26-24(30-21)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2
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n/an/a 564n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401459
PNG
(CHEMBL2204545)
Show SMILES O=c1nc(oc2c(OCc3ccccn3)cccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-6-15(24-12-13-4-1-2-7-19-13)16(14)25-18(20-17)21-8-10-23-11-9-21/h1-7H,8-12H2
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n/an/a 620n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147683
PNG
(CHEMBL3765457)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H18N2O3/c25-21-19-10-4-9-18(17-8-3-6-15-5-1-2-7-16(15)17)20(19)27-22(23-21)24-11-13-26-14-12-24/h1-10H,11-14H2
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n/an/a 640n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50401463
PNG
(CHEMBL1276684)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-3-2-6-20-11-14)5-4-15-17(13)26-19(21-18(15)23)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 720n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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n/an/a 950n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 950n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401461
PNG
(CHEMBL1276748)
Show SMILES Cc1c(OCc2ccncc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-4-6-20-7-5-14)3-2-15-17(13)26-19(21-18(15)23)22-8-10-24-11-9-22/h2-7H,8-12H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401466
PNG
(CHEMBL1276651)
Show SMILES Cc1c(OCc2ccccn2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-4-2-3-7-20-14)6-5-15-17(13)26-19(21-18(15)23)22-8-10-24-11-9-22/h2-7H,8-12H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401460
PNG
(CHEMBL1276773)
Show SMILES O=c1nc(oc2c(OCc3ccncc3)cccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-14-2-1-3-15(24-12-13-4-6-19-7-5-13)16(14)25-18(20-17)21-8-10-23-11-9-21/h1-7H,8-12H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401469
PNG
(CHEMBL1276533)
Show SMILES CN1CCN(CCOc2cccc3c2oc(nc3=O)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N4O4/c1-21-5-7-22(8-6-21)9-14-26-16-4-2-3-15-17(16)27-19(20-18(15)24)23-10-12-25-13-11-23/h2-4H,5-14H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50401463
PNG
(CHEMBL1276684)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4/c1-13-16(25-12-14-3-2-6-20-11-14)5-4-15-17(13)26-19(21-18(15)23)22-7-9-24-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50147676
PNG
(CHEMBL3763878)
Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2
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n/an/a 2.12E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50401451
PNG
(CHEMBL2204551)
Show SMILES Nc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H17N3O3/c19-13-6-4-12(5-7-13)14-2-1-3-15-16(14)24-18(20-17(15)22)21-8-10-23-11-9-21/h1-7H,8-11,19H2
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n/an/a 2.34E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401465
PNG
(CHEMBL1276683)
Show SMILES O=c1nc(oc2cc(OCc3cccnc3)ccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-15-4-3-14(24-12-13-2-1-5-19-11-13)10-16(15)25-18(20-17)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401453
PNG
(CHEMBL2203798)
Show SMILES Cc1c(OCc2cccnc2)ccc2c1oc(nc2=O)N(Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C26H21N5O3/c1-18-23(33-17-20-6-3-11-28-14-20)9-8-22-24(18)34-26(30-25(22)32)31(21-7-4-12-29-15-21)16-19-5-2-10-27-13-19/h2-15H,16-17H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147677
PNG
(CHEMBL3764880)
Show SMILES COc1ccc(cc1)-c1cc(Cl)cc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-14-4-2-12(3-5-14)15-10-13(20)11-16-17(15)26-19(21-18(16)23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401467
PNG
(CHEMBL1276622)
Show SMILES O=c1nc(oc2cc(OCc3ccccn3)ccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-15-5-4-14(24-12-13-3-1-2-6-19-13)11-16(15)25-18(20-17)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147684
PNG
(CHEMBL3765105)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50147684
PNG
(CHEMBL3765105)
Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)14(13)21-16(17-15)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147688
PNG
(CHEMBL3763205)
Show SMILES OCc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O4/c22-12-13-4-6-14(7-5-13)15-2-1-3-16-17(15)25-19(20-18(16)23)21-8-10-24-11-9-21/h1-7,22H,8-12H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50147681
PNG
(CHEMBL3764119)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-12-4-1-3-11(13-5-2-10-22-13)14(12)21-16(17-15)18-6-8-20-9-7-18/h1-5,10H,6-9H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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n/an/a 3.36E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)14(13)21-16(17-15)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50401450
PNG
(CHEMBL2204552)
Show SMILES Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16FN3O3/c19-15-10-11(20)4-5-12(15)13-2-1-3-14-16(13)25-18(21-17(14)23)22-6-8-24-9-7-22/h1-5,10H,6-9,20H2
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n/an/a 3.41E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147676
PNG
(CHEMBL3763878)
Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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n/an/a 4.07E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401464
PNG
(CHEMBL1276747)
Show SMILES O=c1nc(oc2cc(OCc3ccncc3)ccc12)N1CCOCC1
Show InChI InChI=1S/C18H17N3O4/c22-17-15-2-1-14(24-12-13-3-5-19-6-4-13)11-16(15)25-18(20-17)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147681
PNG
(CHEMBL3764119)
Show SMILES O=c1nc(oc2c(cccc12)-c1cccs1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-12-4-1-3-11(13-5-2-10-22-13)14(12)21-16(17-15)18-6-8-20-9-7-18/h1-5,10H,6-9H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50147685
PNG
(CHEMBL3765574)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccsc1)N1CCOCC1
Show InChI InChI=1S/C16H14N2O3S/c19-15-13-3-1-2-12(11-4-9-22-10-11)14(13)21-16(17-15)18-5-7-20-8-6-18/h1-4,9-10H,5-8H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay


Eur J Med Chem 110: 326-39 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.042
BindingDB Entry DOI: 10.7270/Q2H133V6
More data for this
Ligand-Target Pair
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