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8 similar compounds to monomer 50401269

Compile data set for download or QSAR
Wt: 455.3
BDBM50401250
Wt: 505.9
BDBM50401252
Wt: 490.9
BDBM50401253
Wt: 436.8
BDBM50401257
Wt: 441.2
BDBM50401264
Wt: 435.8
BDBM50401267
Wt: 432.8
BDBM50401268
Wt: 486.9
BDBM50401270

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50401250,50401252,50401253,50401257,50401264,50401267,50401268,50401270   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401253
PNG
(CHEMBL2206907 | US8772480, 328)
Show SMILES Cc1nc(N)nc(n1)-c1cc(cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1)C1CCOCC1
Show InChI InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401253
PNG
(CHEMBL2206907 | US8772480, 328)
Show SMILES Cc1nc(N)nc(n1)-c1cc(cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1)C1CCOCC1
Show InChI InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401264
PNG
(CHEMBL2206918)
Show SMILES Cc1nc(N)nc(n1)-c1cc(Cl)cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C15H14Cl2N8O2S/c1-7-21-14(24-15(18)22-7)10-3-8(16)5-20-13(10)23-9-4-11(12(17)19-6-9)25-28(2,26)27/h3-6,25H,1-2H3,(H,20,23)(H2,18,21,22,24)
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3.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401252
PNG
(CHEMBL2206908 | US8772480, 332)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCOCC2)cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H24ClN9O3S/c1-12-25-19(28-20(22)26-12)15-7-13(11-30-3-5-33-6-4-30)9-24-18(15)27-14-8-16(17(21)23-10-14)29-34(2,31)32/h7-10,29H,3-6,11H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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4n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401270
PNG
(CHEMBL2206912 | US8772480, 264)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H16ClFN8O2S/c1-11-26-19(29-20(23)27-11)15-3-2-8-24-18(15)28-13-9-16(17(21)25-10-13)30-33(31,32)14-6-4-12(22)5-7-14/h2-10,30H,1H3,(H,24,28)(H2,23,26,27,29)
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401268
PNG
(CHEMBL2206914 | US8772480, 365)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25)
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6n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401257
PNG
(CHEMBL2206903 | US8772480, 330)
Show SMILES COc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C16H17ClN8O3S/c1-8-21-15(24-16(18)22-8)11-5-10(28-2)7-20-14(11)23-9-4-12(13(17)19-6-9)25-29(3,26)27/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24)
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7n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401252
PNG
(CHEMBL2206908 | US8772480, 332)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCOCC2)cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H24ClN9O3S/c1-12-25-19(28-20(22)26-12)15-7-13(11-30-3-5-33-6-4-30)9-24-18(15)27-14-8-16(17(21)23-10-14)29-34(2,31)32/h7-10,29H,3-6,11H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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9.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401268
PNG
(CHEMBL2206914 | US8772480, 365)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401267
PNG
(CHEMBL2206915)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncccc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H18ClN9O2S/c1-9-21-15(24-16(18)22-9)11-5-4-6-19-14(11)23-10-7-12(13(17)20-8-10)25-29(27,28)26(2)3/h4-8,25H,1-3H3,(H,19,23)(H2,18,21,22,24)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401257
PNG
(CHEMBL2206903 | US8772480, 330)
Show SMILES COc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C16H17ClN8O3S/c1-8-21-15(24-16(18)22-8)11-5-10(28-2)7-20-14(11)23-9-4-12(13(17)19-6-9)25-29(3,26)27/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24)
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11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401270
PNG
(CHEMBL2206912 | US8772480, 264)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H16ClFN8O2S/c1-11-26-19(29-20(23)27-11)15-3-2-8-24-18(15)28-13-9-16(17(21)25-10-13)30-33(31,32)14-6-4-12(22)5-7-14/h2-10,30H,1H3,(H,24,28)(H2,23,26,27,29)
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16n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401250
PNG
(CHEMBL2206910)
Show SMILES CN(c1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C16H16Cl2N8O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26(2)29(3,27)28/h4-7H,1-3H3,(H,21,24)(H2,19,22,23,25)
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311n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50401257
PNG
(CHEMBL2206903 | US8772480, 330)
Show SMILES COc1cnc(Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c(c1)-c1nc(C)nc(N)n1
Show InChI InChI=1S/C16H17ClN8O3S/c1-8-21-15(24-16(18)22-8)11-5-10(28-2)7-20-14(11)23-9-4-12(13(17)19-6-9)25-29(3,26)27/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24)
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n/an/a 50n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50401253
PNG
(CHEMBL2206907 | US8772480, 328)
Show SMILES Cc1nc(N)nc(n1)-c1cc(cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1)C1CCOCC1
Show InChI InChI=1S/C20H23ClN8O3S/c1-11-25-19(28-20(22)26-11)15-7-13(12-3-5-32-6-4-12)9-24-18(15)27-14-8-16(17(21)23-10-14)29-33(2,30)31/h7-10,12,29H,3-6H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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n/an/a 26n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50401270
PNG
(CHEMBL2206912 | US8772480, 264)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H16ClFN8O2S/c1-11-26-19(29-20(23)27-11)15-3-2-8-24-18(15)28-13-9-16(17(21)25-10-13)30-33(31,32)14-6-4-12(22)5-7-14/h2-10,30H,1H3,(H,24,28)(H2,23,26,27,29)
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n/an/a 389n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50401252
PNG
(CHEMBL2206908 | US8772480, 332)
Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCOCC2)cnc1Nc1cnc(Cl)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H24ClN9O3S/c1-12-25-19(28-20(22)26-12)15-7-13(11-30-3-5-33-6-4-30)9-24-18(15)27-14-8-16(17(21)23-10-14)29-34(2,31)32/h7-10,29H,3-6,11H2,1-2H3,(H,24,27)(H2,22,25,26,28)
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n/an/a 154n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50401268
PNG
(CHEMBL2206914 | US8772480, 365)
Show SMILES Cc1nc(N)nc(n1)-c1cccnc1Nc1cnc(Cl)c(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C17H17ClN8O2S/c1-9-22-16(25-17(19)23-9)12-3-2-6-20-15(12)24-10-7-13(14(18)21-8-10)26-29(27,28)11-4-5-11/h2-3,6-8,11,26H,4-5H2,1H3,(H,20,24)(H2,19,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 345n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair