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11 similar compounds to monomer 122451

Compile data set for download or QSAR
Wt: 416.8
BDBM122446
Wt: 368.3
BDBM122447
Wt: 495.7
BDBM122448
Wt: 481.7
BDBM122449
Wt: 479.9
BDBM122450
Wt: 487.9
BDBM122452
Wt: 402.8
BDBM122464
Wt: 416.8
BDBM122465
Wt: 403.8
BDBM122470
Wt: 417.8
BDBM50351953
Wt: 402.8
BDBM50351954

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 122446,122447,122448,122449,122450,122452,122464,122465,122470,50351953,50351954   
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))
BDBM122450
PNG
(US8729074, 7)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(cn12)-c1ccncc1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-4-2-18(25)3-5-19)11-17(12-28-23)21-13-27-22-6-1-16(14-30(21)22)15-7-9-26-10-8-15/h1-14,29H
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2n/a 5n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50351953
PNG
(CHEMBL1822058)
Show SMILES Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H13ClFN5O2S/c19-18-15(24-28(26,27)14-4-2-13(20)3-5-14)7-12(8-22-18)11-1-6-17-23-16(21)10-25(17)9-11/h1-10,24H,21H2
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2.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122452
PNG
(US8729074, 9)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(cn12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c23-22-19(27-33(30,31)18-4-1-16(24)2-5-18)11-15(12-26-22)20-13-25-21-6-3-17(14-29(20)21)28-7-9-32-10-8-28/h1-6,11-14,27H,7-10H2
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4n/a 6n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122449
PNG
(US8729074, 6)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(Br)cn12
Show InChI InChI=1S/C18H11BrClFN4O2S/c19-12-1-6-17-22-9-16(25(17)10-12)11-7-15(18(20)23-8-11)24-28(26,27)14-4-2-13(21)3-5-14/h1-10,24H
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6n/a 14n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122465
PNG
(US8729074, 4)
Show SMILES Cc1ccn2c(cnc2c1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H14ClFN4O2S/c1-12-6-7-25-17(11-22-18(25)8-12)13-9-16(19(20)23-10-13)24-28(26,27)15-4-2-14(21)3-5-15/h2-11,24H,1H3
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19n/a 13n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122448
PNG
(US8729074, 5)
Show SMILES Cc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H13BrClFN4O2S/c1-11-18(26-10-13(20)2-7-17(26)24-11)12-8-16(19(21)23-9-12)25-29(27,28)15-5-3-14(22)4-6-15/h2-10,25H,1H3
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20n/a 16n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50351954
PNG
(CHEMBL1822059)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccn2c1
Show InChI InChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
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23n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122464
PNG
(US8729074, 3)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccccn12
Show InChI InChI=1S/C18H12ClFN4O2S/c19-18-15(23-27(25,26)14-6-4-13(20)5-7-14)9-12(10-22-18)16-11-21-17-3-1-2-8-24(16)17/h1-11,23H
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28n/a 30n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122446
PNG
(US8729074, 1)
Show SMILES Cc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H14ClFN4O2S/c1-12-18(25-9-3-2-4-17(25)23-12)13-10-16(19(20)22-11-13)24-28(26,27)15-7-5-14(21)6-8-15/h2-11,24H,1H3
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126n/a 76n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122470
PNG
(US8729074, 24)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ncccn12
Show InChI InChI=1S/C17H11ClFN5O2S/c18-16-14(23-27(25,26)13-4-2-12(19)3-5-13)8-11(9-21-16)15-10-22-17-20-6-1-7-24(15)17/h1-10,23H
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378n/a 781n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM122447
PNG
(US8729074, 2)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1cnc2ccccn12
Show InChI InChI=1S/C18H13FN4O2S/c19-14-4-6-16(7-5-14)26(24,25)22-15-9-13(10-20-11-15)17-12-21-18-3-1-2-8-23(17)18/h1-12,22H
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1.29E+3n/a 931n/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: PI3Kα, PI3Kβ,...


US Patent US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50351953
PNG
(CHEMBL1822058)
Show SMILES Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H13ClFN5O2S/c19-18-15(24-28(26,27)14-4-2-13(20)3-5-14)7-12(8-22-18)11-1-6-17-23-16(21)10-25(17)9-11/h1-10,24H,21H2
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n/an/a>1.20E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-mediated Akt phosphorylation at Ser 473 in human U87MG cells after 2 hrs by alphascreen assay


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50351954
PNG
(CHEMBL1822059)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccn2c1
Show InChI InChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
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n/an/a 229n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged mTOR-mediated 4E-BP1 phosphorylation after 60 mins by TR-FRET assay


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50351953
PNG
(CHEMBL1822058)
Show SMILES Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H13ClFN5O2S/c19-18-15(24-28(26,27)14-4-2-13(20)3-5-14)7-12(8-22-18)11-1-6-17-23-16(21)10-25(17)9-11/h1-10,24H,21H2
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged mTOR-mediated 4E-BP1 phosphorylation after 60 mins by TR-FRET assay


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122470
PNG
(US8729074, 24)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ncccn12
Show InChI InChI=1S/C17H11ClFN5O2S/c18-16-14(23-27(25,26)13-4-2-12(19)3-5-13)8-11(9-21-16)15-10-22-17-20-6-1-7-24(15)17/h1-10,23H
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n/an/a>5.00E+4n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122452
PNG
(US8729074, 9)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(cn12)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O3S/c23-22-19(27-33(30,31)18-4-1-16(24)2-5-18)11-15(12-26-22)20-13-25-21-6-3-17(14-29(20)21)28-7-9-32-10-8-28/h1-6,11-14,27H,7-10H2
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n/an/a 364n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122450
PNG
(US8729074, 7)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(cn12)-c1ccncc1
Show InChI InChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-4-2-18(25)3-5-19)11-17(12-28-23)21-13-27-22-6-1-16(14-30(21)22)15-7-9-26-10-8-15/h1-14,29H
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n/an/a 36n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122449
PNG
(US8729074, 6)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccc(Br)cn12
Show InChI InChI=1S/C18H11BrClFN4O2S/c19-12-1-6-17-22-9-16(25(17)10-12)11-7-15(18(20)23-8-11)24-28(26,27)14-4-2-13(21)3-5-14/h1-10,24H
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n/an/a 39n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50351954
PNG
(CHEMBL1822059)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccn2c1
Show InChI InChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
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n/an/a 574n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-mediated Akt phosphorylation at Ser 473 in human U87MG cells after 2 hrs by alphascreen assay


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122464
PNG
(US8729074, 3)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ccccn12
Show InChI InChI=1S/C18H12ClFN4O2S/c19-18-15(23-27(25,26)14-6-4-13(20)5-7-14)9-12(10-22-18)16-11-21-17-3-1-2-8-24(16)17/h1-11,23H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 155n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM122448
PNG
(US8729074, 5)
Show SMILES Cc1nc2ccc(Br)cn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H13BrClFN4O2S/c1-11-18(26-10-13(20)2-7-17(26)24-11)12-8-16(19(21)23-9-12)25-29(27,28)15-5-3-14(22)4-6-15/h2-10,25H,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 848n/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 US8729074 (2014)


BindingDB Entry DOI: 10.7270/Q2RJ4H4G
More data for this
Ligand-Target Pair