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Compile Data Set for Download or QSAR

Found 4146 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127490
PNG
(US8791131, 268)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C22H21N7O2/c1-28-18-11-23-17-7-6-16(12-8-13-10-25-27-21(13)24-9-12)26-19(17)20(18)29(22(28)31)14-2-4-15(30)5-3-14/h6-11,14-15,30H,2-5H2,1H3,(H,24,25,27)/t14-,15-
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US Patent
0.117n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127403
PNG
(US8791131, 168)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C19H20N6O2/c1-24-16-10-20-15-7-6-14(11-8-21-22-9-11)23-17(15)18(16)25(19(24)27)12-2-4-13(26)5-3-12/h6-10,12-13,26H,2-5H2,1H3,(H,21,22)/t12-,13-
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US Patent
0.204n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127481
PNG
(US8791131, 258)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C24H24N8O3/c1-13(33)23(34)31-7-5-16(6-8-31)32-21-19(30(2)24(32)35)12-25-18-4-3-17(28-20(18)21)14-9-15-11-27-29-22(15)26-10-14/h3-4,9-13,16,33H,5-8H2,1-2H3,(H,26,27,29)/t13-/m1/s1
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US Patent
0.241n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428109
PNG
(CHEMBL2331668 | US8791131, 259)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C23H22N8O2/c1-13(32)30-7-5-16(6-8-30)31-21-19(29(2)23(31)33)12-24-18-4-3-17(27-20(18)21)14-9-15-11-26-28-22(15)25-10-14/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26,28)
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Article
0.243n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428109
PNG
(CHEMBL2331668 | US8791131, 259)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C23H22N8O2/c1-13(32)30-7-5-16(6-8-30)31-21-19(29(2)23(31)33)12-24-18-4-3-17(27-20(18)21)14-9-15-11-26-28-22(15)25-10-14/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26,28)
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US Patent
0.243n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127468
PNG
(US8791131, 242)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(N)nc2)n(C)c1=O
Show InChI InChI=1S/C22H23N7O2/c1-13(30)28-9-7-15(8-10-28)29-21-18(27(2)22(29)31)12-24-17-5-4-16(26-20(17)21)14-3-6-19(23)25-11-14/h3-6,11-12,15H,7-10H2,1-2H3,(H2,23,25)
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US Patent
0.299n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127482
PNG
(US8791131, 260)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C24H24N8O3/c1-30-19-12-25-18-4-3-17(14-9-15-11-27-29-23(15)26-10-14)28-21(18)22(19)32(24(30)34)16-5-7-31(8-6-16)20(33)13-35-2/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,26,27,29)
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US Patent
0.323n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127455
PNG
(US8791131, 229)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cnc(N)nc1
Show InChI InChI=1S/C20H21N7O2/c1-26-16-10-22-15-7-6-14(11-8-23-19(21)24-9-11)25-17(15)18(16)27(20(26)29)12-2-4-13(28)5-3-12/h6-10,12-13,28H,2-5H2,1H3,(H2,21,23,24)/t12-,13-
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US Patent
0.330n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343775
PNG
((S)-1-ethyl-3-(4-(7-(2-hydroxyethyl)-7-methyl-4-mo...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1CCOCC1
Show InChI InChI=1S/C22H29N5O4/c1-3-23-21(29)24-16-6-4-15(5-7-16)19-25-18-17(14-31-22(18,2)8-11-28)20(26-19)27-9-12-30-13-10-27/h4-7,28H,3,8-14H2,1-2H3,(H2,23,24,29)/t22-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127489
PNG
(US8791131, 267)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H22N6O2/c1-28-20-12-24-19-9-8-17(13-2-7-18-14(10-13)11-25-27-18)26-21(19)22(20)29(23(28)31)15-3-5-16(30)6-4-15/h2,7-12,15-16,30H,3-6H2,1H3,(H,25,27)/t15-,16-
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US Patent
0.359n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428111
PNG
(CHEMBL2331666 | US8791131, 153)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-15-4-5-16(12-25-15)18-6-7-19-22(27-18)23-20(13-26-19)28(2)24(32)30(23)17-8-10-29(11-9-17)21(31)14-33-3/h4-7,12-13,17H,8-11,14H2,1-3H3
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Article
0.377n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428111
PNG
(CHEMBL2331666 | US8791131, 153)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-15-4-5-16(12-25-15)18-6-7-19-22(27-18)23-20(13-26-19)28(2)24(32)30(23)17-8-10-29(11-9-17)21(31)14-33-3/h4-7,12-13,17H,8-11,14H2,1-3H3
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US Patent
0.377n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428131
PNG
(CHEMBL2331687)
Show SMILES C[C@H]1COCCN1c1nc(nc2CN(CCc12)c1ncccn1)-c1ccc(Nc2nccc(=O)[nH]2)cc1
Show InChI InChI=1S/C26H27N9O2/c1-17-16-37-14-13-35(17)24-20-8-12-34(26-28-9-2-10-29-26)15-21(20)31-23(33-24)18-3-5-19(6-4-18)30-25-27-11-7-22(36)32-25/h2-7,9-11,17H,8,12-16H2,1H3,(H2,27,30,32,36)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127462
PNG
(US8791131, 236)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C24H23N5O2/c1-28-21-13-26-20-10-9-19(16-3-2-4-18-17(16)11-12-25-18)27-22(20)23(21)29(24(28)31)14-5-7-15(30)8-6-14/h2-4,9-15,25,30H,5-8H2,1H3/t14-,15-
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US Patent
0.404n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127423
PNG
(US8791131, 197)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(N)=O)c3c2n1
Show InChI InChI=1S/C23H26N8O2/c1-28(2)19-7-4-14(12-26-19)16-5-6-17-20(27-16)21-18(13-25-17)29(3)23(33)31(21)15-8-10-30(11-9-15)22(24)32/h4-7,12-13,15H,8-11H2,1-3H3,(H2,24,32)
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US Patent
0.444n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127483
PNG
(US8791131, 261)
Show SMILES Cn1c2cnc3ccc(nc3c2n(C2CCN(CC2)C(=O)C(C)(C)O)c1=O)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C25H26N8O3/c1-25(2,36)23(34)32-8-6-16(7-9-32)33-21-19(31(3)24(33)35)13-26-18-5-4-17(29-20(18)21)14-10-15-12-28-30-22(15)27-11-14/h4-5,10-13,16,36H,6-9H2,1-3H3,(H,27,28,30)
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0.658n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343776
PNG
(1-(4-((S)-4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octa...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C24H31N5O4/c1-3-25-23(31)26-16-6-4-15(5-7-16)21-27-20-19(14-32-24(20,2)10-11-30)22(28-21)29-12-17-8-9-18(13-29)33-17/h4-7,17-18,30H,3,8-14H2,1-2H3,(H2,25,26,31)/t17-,18+,24-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343774
PNG
(1-Ethyl-3-(4-((S)-7-(2-hydroxyethyl)-7-methyl-4-((...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C23H31N5O4/c1-4-24-22(30)25-17-7-5-16(6-8-17)20-26-19-18(14-32-23(19,3)9-11-29)21(27-20)28-10-12-31-13-15(28)2/h5-8,15,29H,4,9-14H2,1-3H3,(H2,24,25,30)/t15-,23-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343769
PNG
((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)Nc2cnn(C)c2)cc1
Show InChI InChI=1S/C24H29N7O3/c1-15-13-33-10-9-31(15)22-19-14-34-24(2,3)20(19)28-21(29-22)16-5-7-17(8-6-16)26-23(32)27-18-11-25-30(4)12-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,26,27,32)/t15-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50327904
PNG
(2-amino-4-methyl-6-(1H-pyrazol-3-yl)-8-(tetrahydro...)
Show SMILES Cc1nc(N)nc2n(C3CCOCC3)c(=O)c(nc12)-c1cc[nH]n1
Show InChI InChI=1S/C15H17N7O2/c1-8-11-13(20-15(16)18-8)22(9-3-6-24-7-4-9)14(23)12(19-11)10-2-5-17-21-10/h2,5,9H,3-4,6-7H2,1H3,(H,17,21)(H2,16,18,20)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127391
PNG
(US8791131, 154)
Show SMILES COc1ncc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)[C@H](C)O)c3c2n1
Show InChI InChI=1S/C23H25N7O4/c1-13(31)21(32)29-8-6-15(7-9-29)30-20-18(28(2)23(30)33)12-24-17-5-4-16(27-19(17)20)14-10-25-22(34-3)26-11-14/h4-5,10-13,15,31H,6-9H2,1-3H3/t13-/m0/s1
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US Patent
0.822n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428113
PNG
(CHEMBL2331663 | US8791131, 172)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)CO)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14-3-4-15(11-24-14)17-5-6-18-21(26-17)22-19(12-25-18)27(2)23(32)29(22)16-7-9-28(10-8-16)20(31)13-30/h3-6,11-12,16,30H,7-10,13H2,1-2H3
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US Patent
0.842n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428113
PNG
(CHEMBL2331663 | US8791131, 172)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)CO)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14-3-4-15(11-24-14)17-5-6-18-21(26-17)22-19(12-25-18)27(2)23(32)29(22)16-7-9-28(10-8-16)20(31)13-30/h3-6,11-12,16,30H,7-10,13H2,1-2H3
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0.842n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50327907
PNG
(CHEMBL1257295 | trans-2-amino-8-(4-hydroxycyclohex...)
Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O
Show InChI InChI=1S/C19H22N6O2/c1-10-3-4-12(9-21-10)16-18(27)25(13-5-7-14(26)8-6-13)17-15(23-16)11(2)22-19(20)24-17/h3-4,9,13-14,26H,5-8H2,1-2H3,(H2,20,22,24)/t13-,14-
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0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50430787
PNG
(CHEMBL2334764)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3S(C)(=O)=O
Show InChI InChI=1S/C24H32N6O4S/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-21-19(23(28-22)29-11-12-34-14-15(29)2)13-18-9-10-20(21)30(18)35(3,32)33/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1
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0.990n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343772
PNG
(1-(4-((R)-7-(cyclopropylmethyl)-7-methyl-4-((S)-3-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CC2CC2)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C25H33N5O3/c1-4-26-24(31)27-19-9-7-18(8-10-19)22-28-21-20(15-33-25(21,3)13-17-5-6-17)23(29-22)30-11-12-32-14-16(30)2/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,26,27,31)/t16-,25+/m0/s1
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50439517
PNG
(CHEMBL2418349)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ncc2n1
Show InChI InChI=1S/C21H27N7O2/c1-4-16-13-30-11-10-28(16)20-18-17(12-23-27(18)3)25-19(26-20)14-6-8-15(9-7-14)24-21(29)22-5-2/h6-9,12,16H,4-5,10-11,13H2,1-3H3,(H2,22,24,29)/t16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360-2549) expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 after 30 mins by L...


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343779
PNG
(1-(4-((R)-4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octa...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCO)c(n1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C24H31N5O4/c1-3-25-23(31)26-16-6-4-15(5-7-16)21-27-20-19(14-32-24(20,2)10-11-30)22(28-21)29-12-17-8-9-18(13-29)33-17/h4-7,17-18,30H,3,8-14H2,1-2H3,(H2,25,26,31)/t17-,18+,24-/m1/s1
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127425
PNG
(US8791131, 199)
Show SMILES Cn1c2cnc3ccc(nc3c2n(C2CCOCC2)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C18H18N6O2/c1-23-15-10-19-14-3-2-13(11-8-20-21-9-11)22-16(14)17(15)24(18(23)25)12-4-6-26-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,20,21)
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US Patent
1.03n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127412
PNG
(US8791131, 181)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)NN)c3c2n1
Show InChI InChI=1S/C22H24N8O2/c1-13-3-4-14(11-24-13)16-5-6-17-19(26-16)20-18(12-25-17)28(2)22(32)30(20)15-7-9-29(10-8-15)21(31)27-23/h3-6,11-12,15H,7-10,23H2,1-2H3,(H,27,31)
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US Patent
1.06n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343780
PNG
(1-methyl-4-(4-((R)-7-(2-cyanoethyl)-7-((S)-3-methy...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCC#N)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C24H30N6O3/c1-4-26-23(31)27-18-8-6-17(7-9-18)21-28-20-19(15-33-24(20,3)10-5-11-25)22(29-21)30-12-13-32-14-16(30)2/h6-9,16H,4-5,10,12-15H2,1-3H3,(H2,26,27,31)/t16-,24+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127436
PNG
(US8791131, 210)
Show SMILES Cn1c2cnc3ccc(nc3c2n(C2CCOCC2)c1=O)-c1cnc(N)nc1
Show InChI InChI=1S/C19H19N7O2/c1-25-15-10-21-14-3-2-13(11-8-22-18(20)23-9-11)24-16(14)17(15)26(19(25)27)12-4-6-28-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H2,20,22,23)
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US Patent
1.13n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127409
PNG
(US8791131, 178)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C25H29N7O2/c1-16-5-6-17(13-26-16)19-7-8-20-23(28-19)24-21(14-27-20)30(4)25(34)32(24)18-9-11-31(12-10-18)22(33)15-29(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3
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US Patent
1.18n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343764
PNG
((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5-ox...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(C(=O)OC2(C)C)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C22H27N5O4/c1-5-23-21(29)24-15-8-6-14(7-9-15)18-25-17-16(20(28)31-22(17,3)4)19(26-18)27-10-11-30-12-13(27)2/h6-9,13H,5,10-12H2,1-4H3,(H2,23,24,29)/t13-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343771
PNG
((S)-6-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(Nc2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C24H27N5O3/c1-15-13-31-12-11-29(15)23-18-14-32-24(2,3)21(18)27-22(28-23)16-7-9-17(10-8-16)25-19-5-4-6-20(30)26-19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,30)/t15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50430790
PNG
(CHEMBL2334761)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C
Show InChI InChI=1S/C24H32N6O2/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-21-19(13-18-9-10-20(21)29(18)3)23(28-22)30-11-12-32-14-15(30)2/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50430786
PNG
(CHEMBL2334765)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C(C)=O
Show InChI InChI=1S/C25H32N6O3/c1-4-26-25(33)27-18-7-5-17(6-8-18)23-28-22-20(13-19-9-10-21(22)31(19)16(3)32)24(29-23)30-11-12-34-14-15(30)2/h5-8,15,19,21H,4,9-14H2,1-3H3,(H2,26,27,33)/t15-,19-,21+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50430784
PNG
(CHEMBL2334767)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C(C)(C)C(=O)NC
Show InChI InChI=1S/C28H39N7O3/c1-6-30-27(37)31-19-9-7-18(8-10-19)24-32-23-21(25(33-24)34-13-14-38-16-17(34)2)15-20-11-12-22(23)35(20)28(3,4)26(36)29-5/h7-10,17,20,22H,6,11-16H2,1-5H3,(H,29,36)(H2,30,31,37)/t17-,20-,22+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343773
PNG
(1-(4-((S)-7-(cyclopropylmethyl)-7-methyl-4-((S)-3-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC2CC2)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C25H33N5O3/c1-4-26-24(31)27-19-9-7-18(8-10-19)22-28-21-20(15-33-25(21,3)13-17-5-6-17)23(29-22)30-11-12-32-14-16(30)2/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,26,27,31)/t16-,25-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50400337
PNG
(CHEMBL2181523)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1CC)c1ncccn1
Show InChI InChI=1S/C26H32N8O2/c1-3-20-17-36-15-14-34(20)24-21-10-13-33(25-28-11-5-12-29-25)16-22(21)31-23(32-24)18-6-8-19(9-7-18)30-26(35)27-4-2/h5-9,11-12,20H,3-4,10,13-17H2,1-2H3,(H2,27,30,35)/t20-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343781
PNG
(1-(4-((S)-7-(2-cyanoethyl)-7-methyl-4-((S)-3-methy...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCC#N)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C24H30N6O3/c1-4-26-23(31)27-18-8-6-17(7-9-18)21-28-20-19(15-33-24(20,3)10-5-11-25)22(29-21)30-12-13-32-14-16(30)2/h6-9,16H,4-5,10,12-15H2,1-3H3,(H2,26,27,31)/t16-,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428110
PNG
(CHEMBL2331667 | US8791131, 254)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cccc3[nH]ncc23)n(C)c1=O
Show InChI InChI=1S/C24H23N7O2/c1-14(32)30-10-8-15(9-11-30)31-23-21(29(2)24(31)33)13-25-20-7-6-18(27-22(20)23)16-4-3-5-19-17(16)12-26-28-19/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)
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US Patent
1.34n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127374
PNG
(US8791131, 132)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3c2n1
Show InChI InChI=1S/C21H21N5O3/c1-29-18-9-2-12(10-23-18)15-7-8-16-19(24-15)20-17(11-22-16)25-21(28)26(20)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,25,28)/t13-,14-
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US Patent
1.39n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50400335
PNG
(CHEMBL2181525)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1cccnn1
Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)28-19-8-6-18(7-9-19)23-29-21-15-32(22-5-4-11-27-31-22)12-10-20(21)24(30-23)33-13-14-35-16-17(33)2/h4-9,11,17H,3,10,12-16H2,1-2H3,(H2,26,28,34)/t17-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428125
PNG
(CHEMBL2331677)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1nccn1C
Show InChI InChI=1S/C25H32N8O2/c1-4-26-24(34)28-19-7-5-18(6-8-19)22-29-21-15-32(25-27-10-12-31(25)3)11-9-20(21)23(30-22)33-13-14-35-16-17(33)2/h5-8,10,12,17H,4,9,11,13-16H2,1-3H3,(H2,26,28,34)/t17-/m0/s1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50343763
PNG
((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay


Citation and Details
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM127408
PNG
(US8791131, 176)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC(N)=O)CC4)c3c2n1
Show InChI InChI=1S/C23H25N7O2/c1-14-3-4-15(11-25-14)17-5-6-18-21(27-17)22-19(12-26-18)28(2)23(32)30(22)16-7-9-29(10-8-16)13-20(24)31/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,24,31)
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US Patent
1.41n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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US Patent
1.41n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...


US Patent US8791131 (2014)

More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50400338
PNG
(CHEMBL2181522)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncccn1
Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
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