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Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'di geronimo' and Initial = 'b'   
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))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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0.0700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110delta/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
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))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p110alpha H1047R mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50579637
PNG
(CHEMBL4878958)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110delta/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
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))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50579637
PNG
(CHEMBL4878958)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3Kgamma by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
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))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
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))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p110alpha E542K mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
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))
BDBM50579637
PNG
(CHEMBL4878958)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.270n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110alpha/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50579637
PNG
(CHEMBL4878958)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110beta/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3K p110beta/p85alpha by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PI3Kgamma by HTRF assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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0.510n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110gamma using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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0.530n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110beta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.940n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110beta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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0.980n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p110gamma using PIP2 as substrate in presence of ATP measured by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579637
PNG
(CHEMBL4878958)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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n/an/a 0.230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50570224
PNG
(CHEMBL4850101)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579636
PNG
(CHEMBL4876895)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3c(C)c-2sc13
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n/an/a 0.430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579638
PNG
(CHEMBL4869487)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CN(CCO1)c1ncnc3c(C)c-2sc13 |r|
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n/an/a 0.660n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570222
PNG
(CHEMBL4868571)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570247
PNG
(CHEMBL4853785)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570234
PNG
(CHEMBL4872630)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50145416
PNG
(GSK2126458 | Omipalisib)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin) by LanthaScreen assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570223
PNG
(CHEMBL4872284)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570235
PNG
(CHEMBL4873529)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2nn13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570224
PNG
(CHEMBL4850101)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570232
PNG
(CHEMBL4854600)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570246
PNG
(CHEMBL4875080)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3sc-2cc13
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TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570225
PNG
(CHEMBL4866790)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570233
PNG
(CHEMBL4876703)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579639
PNG
(CHEMBL4866710)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCN(C1)c1ncnc3c(C)c-2sc13 |r|
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579640
PNG
(CHEMBL4860117)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13 |r|
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50579642
PNG
(CHEMBL4851911)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1sc2c(ncnc2c1C)-c1ccc(CNC=O)s1
PDB
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50570237
PNG
(CHEMBL4864407)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570238
PNG
(CHEMBL4850446)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13
PDB
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570226
PNG
(CHEMBL4874434)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)N1CCc3ccc(cc3C1)-c1ccnc3ccc-2cc13
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570248
PNG
(CHEMBL4852833)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50570225
PNG
(CHEMBL4866790)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13
PDB
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50570247
PNG
(CHEMBL4853785)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1
PDB
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50579634
PNG
(CHEMBL4860369)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin) using ARKRRRHPSGPPTA as peptide substrate by ADP Hunter Plus assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570242
PNG
(CHEMBL4875906)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50570227
PNG
(CHEMBL4868111)
Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113109
BindingDB Entry DOI: 10.7270/Q2JH3QZ4
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Ligand-Target Pair
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