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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'jennings' and Initial = 'g'   
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
DNA-dependent protein kinase


(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 2n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50042923
PNG
(CHEMBL3354566)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human mTOR by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 3n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 6n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 6n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 6n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 6n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 7n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50042923
PNG
(CHEMBL3354566)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
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 8n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 11n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50202255
PNG
(CHEMBL3982304)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1
Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 13n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 16n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCgamma by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50358828
PNG
(CHEMBL1922946)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC
Show InChI InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
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n/an/a 22n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50042925
PNG
(CHEMBL3218571)
Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl
Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+
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n/an/a 23n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(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



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50358830
PNG
(CHEMBL1923066)
Show SMILES CCNC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H25N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,27)(H,23,25)
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n/an/a 27n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202255
PNG
(CHEMBL3982304)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1
Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50426459
PNG
(CHEMBL2322668)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCN1)N1CCOCC1
Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50426450
PNG
(CHEMBL2322664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show InChI InChI=1S/C28H31F2N9O2/c29-23(30)24-32-21-8-4-5-9-22(21)39(24)28-34-26(33-27(35-28)38-14-16-41-17-15-38)37-12-10-36(11-13-37)25(40)20(31)18-19-6-2-1-3-7-19/h1-9,20,23H,10-18,31H2/t20-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50042922
PNG
(CHEMBL3218581)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C
Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
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-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM50042923
PNG
(CHEMBL3354566)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202255
PNG
(CHEMBL3982304)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1
Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 38n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50042923
PNG
(CHEMBL3354566)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 47n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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n/an/a 52n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM81368
PNG
(PIK90)
Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC
Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 64n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 64n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human DNA-PK by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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n/an/a 100n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50426814
PNG
(CHEMBL2323114)
Show SMILES COc1ccc2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-13-2-3-14-15(12-13)29(17(23-14)16(21)22)20-25-18(27-4-8-31-9-5-27)24-19(26-20)28-6-10-32-11-7-28/h2-3,12,16H,4-11H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50202259
PNG
(CHEMBL3930788)
Show SMILES NCC(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F2N8O2/c23-18(24)20-26-15-3-1-2-4-16(15)32(20)22-28-19(14-5-7-30(8-6-14)17(33)13-25)27-21(29-22)31-9-11-34-12-10-31/h1-4,14,18H,5-13,25H2
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n/an/a 120n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50426815
PNG
(CHEMBL2323117)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H27N7O2/c1-15(2)18-22-16-5-3-4-6-17(16)28(18)21-24-19(26-7-11-29-12-8-26)23-20(25-21)27-9-13-30-14-10-27/h3-6,15H,7-14H2,1-2H3
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n/an/a 128n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 140n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha


(Homo sapiens (Human))
BDBM50042925
PNG
(CHEMBL3218571)
Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl
Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+
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n/an/a 140n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 180n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50355706
PNG
(CHEMBL1910989)
Show SMILES Cc1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3
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n/an/a 187n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202264
PNG
(CHEMBL3949883)
Show SMILES NCCC1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O/c23-18(24)19-26-16-3-1-2-4-17(16)32(19)22-28-20(30-9-6-15(5-8-25)7-10-30)27-21(29-22)31-11-13-33-14-12-31/h1-4,15,18H,5-14,25H2
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n/an/a 190n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50426814
PNG
(CHEMBL2323114)
Show SMILES COc1ccc2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-13-2-3-14-15(12-13)29(17(23-14)16(21)22)20-25-18(27-4-8-31-9-5-27)24-19(26-20)28-6-10-32-11-7-28/h2-3,12,16H,4-11H2,1H3
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n/an/a 214n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50358829
PNG
(CHEMBL1923060)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OC1CCCC1
Show InChI InChI=1S/C22H26N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25)
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n/an/a 290n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355706
PNG
(CHEMBL1910989)
Show SMILES Cc1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 23: 802-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.076
BindingDB Entry DOI: 10.7270/Q2WM1FQ2
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50202254
PNG
(CHEMBL3953591)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)C1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C25H31F2N9O2/c26-20(27)21-29-18-3-1-2-4-19(18)36(21)25-31-23(30-24(32-25)35-13-15-38-16-14-35)34-11-9-33(10-12-34)22(37)17-5-7-28-8-6-17/h1-4,17,20,28H,5-16H2
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n/an/a 330n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50202259
PNG
(CHEMBL3930788)
Show SMILES NCC(=O)N1CCC(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F2N8O2/c23-18(24)20-26-15-3-1-2-4-16(15)32(20)22-28-19(14-5-7-30(8-6-14)17(33)13-25)27-21(29-22)31-9-11-34-12-10-31/h1-4,14,18H,5-13,25H2
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Monash University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...


Eur J Med Chem 122: 339-351 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.010
BindingDB Entry DOI: 10.7270/Q24X59RN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 370n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human mTOR by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50042925
PNG
(CHEMBL3218571)
Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl
Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+
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n/an/a 370n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay


ACS Med Chem Lett 6: 3-6 (2015)


Article DOI: 10.1021/ml500354e
BindingDB Entry DOI: 10.7270/Q2M61MWR
More data for this
Ligand-Target Pair
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