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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50012952   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561775
PNG
(CHEMBL4792696)
Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561773
PNG
(CHEMBL4751330)
Show SMILES OCCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/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 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561771
PNG
(CHEMBL4764755)
Show SMILES OCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561776
PNG
(CHEMBL4759291)
Show SMILES CNC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561777
PNG
(CHEMBL4758082)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

UniProtKB/SwissProt

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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561778
PNG
(CHEMBL4793846)
Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561772
PNG
(CHEMBL4748452)
Show SMILES OCc1cccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)c1
PDB

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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561769
PNG
(CHEMBL4740323)
Show SMILES O=C(Nc1ccccc1)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561774
PNG
(CHEMBL4740384)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561779
PNG
(CHEMBL4754159)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(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 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561780
PNG
(CHEMBL4749535)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB

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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561782
PNG
(CHEMBL4794335)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)Nc1nc(N2CCOCC2)c2ccccc2n1
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50519385
PNG
(SAR-245409 | SAR245409 | Voxtalisib | XL-765 | XL7...)
Show SMILES CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O
Show InChI InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate in presence of ATP by luciferase-luciferin-coupled chemiluminescence...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561779
PNG
(CHEMBL4754159)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561773
PNG
(CHEMBL4751330)
Show SMILES OCCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561776
PNG
(CHEMBL4759291)
Show SMILES CNC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561771
PNG
(CHEMBL4764755)
Show SMILES OCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561767
PNG
(CHEMBL4760858)
Show SMILES CNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
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TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561780
PNG
(CHEMBL4749535)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)Nc1nc(N2CCOCC2)c2ccccc2n1
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n/an/a 83n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561768
PNG
(CHEMBL4753544)
Show SMILES OCCNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
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n/an/a 87n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561781
PNG
(CHEMBL4742886)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)Nc1nc(N2CCOCC2)c2ccccc2n1
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TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561777
PNG
(CHEMBL4758082)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561775
PNG
(CHEMBL4792696)
Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561770
PNG
(CHEMBL4751402)
Show SMILES O=C(Nc1cncnc1)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB

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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561770
PNG
(CHEMBL4751402)
Show SMILES O=C(Nc1cncnc1)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB
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n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50519385
PNG
(SAR-245409 | SAR245409 | Voxtalisib | XL-765 | XL7...)
Show SMILES CCn1c2nc(N)nc(C)c2cc(-c2cc[nH]n2)c1=O
Show InChI InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
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n/an/a 157n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561772
PNG
(CHEMBL4748452)
Show SMILES OCc1cccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)c1
PDB
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n/an/a 159n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561768
PNG
(CHEMBL4753544)
Show SMILES OCCNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB

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n/an/a 185n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561767
PNG
(CHEMBL4760858)
Show SMILES CNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB

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n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561778
PNG
(CHEMBL4793846)
Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB
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n/an/a 204n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561774
PNG
(CHEMBL4740384)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB
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n/an/a 243n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561769
PNG
(CHEMBL4740323)
Show SMILES O=C(Nc1ccccc1)Nc1nc(N2CCOCC2)c2ccccc2n1
PDB
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n/an/a 504n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50207169
PNG
(4-(4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]py...)
Show SMILES Oc1ccc(cc1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-5-3-12(4-6-13)17-21-15-14-2-1-7-20-19(14)26-16(15)18(22-17)23-8-10-25-11-9-23/h1-7,24H,8-11H2
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561765
PNG
(CHEMBL4799984)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50561766
PNG
(CHEMBL4793551)
Show SMILES O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB

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n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50207169
PNG
(4-(4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]py...)
Show SMILES Oc1ccc(cc1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-5-3-12(4-6-13)17-21-15-14-2-1-7-20-19(14)26-16(15)18(22-17)23-8-10-25-11-9-23/h1-7,24H,8-11H2
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n/an/a 8.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50561766
PNG
(CHEMBL4793551)
Show SMILES O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
PDB
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n/an/a 1.14E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00289
BindingDB Entry DOI: 10.7270/Q2DF6VXJ
More data for this
Ligand-Target Pair