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Compile Data Set for Download or QSAR

Found 56 hits of ic50 data for polymerid = 9137   
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
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50535638
PNG
(CHEMBL4529771)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C2)N1CCS1(=O)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:31,50,t:46,48|
Show InChI InChI=1S/C52H82N2O13S/c1-32-15-11-10-12-16-34(3)42(54-25-26-68(54,62)63)31-40-21-19-38(7)52(61,67-40)49(58)50(59)53-24-14-13-17-41(53)51(60)66-44(35(4)29-39-20-22-43(55)45(30-39)64-8)23-18-33(2)28-37(6)47(57)48(65-9)46(56)36(5)27-32/h10-12,15-16,28,32-33,35-36,38-45,47-48,55,57,61H,13-14,17-27,29-31H2,1-9H3/b12-10+,15-11+,34-16+,37-28+/t32-,33+,35-,36-,38-,39+,40+,41+,42?,43-,44+,45-,47-,48+,52-/m1/s1
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n/an/a 0.170n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50535641
PNG
(CHEMBL4591064)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C2)N1CCCS1(=O)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:31,50,t:46,48|
Show InChI InChI=1S/C53H84N2O13S/c1-33-16-11-10-12-17-35(3)43(55-26-15-27-69(55,63)64)32-41-22-20-39(7)53(62,68-41)50(59)51(60)54-25-14-13-18-42(54)52(61)67-45(36(4)30-40-21-23-44(56)46(31-40)65-8)24-19-34(2)29-38(6)48(58)49(66-9)47(57)37(5)28-33/h10-12,16-17,29,33-34,36-37,39-46,48-49,56,58,62H,13-15,18-28,30-32H2,1-9H3/b12-10+,16-11+,35-17+,38-29+/t33-,34+,36-,37-,39-,40+,41+,42+,43-,44-,45+,46-,48-,49+,53-/m1/s1
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n/an/a 0.274n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50535642
PNG
(CHEMBL4465976)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C2)N1CCS1(=O)=O)[C@H](C)C[C@@H]1CC[C@@H]([C@@H](C1)OC)n1cnnn1 |r,c:31,50,t:46,48|
Show InChI InChI=1S/C53H82N6O12S/c1-33-15-11-10-12-16-35(3)44(59-25-26-72(59,66)67)31-41-21-19-39(7)53(65,71-41)50(62)51(63)57-24-14-13-17-43(57)52(64)70-45(23-18-34(2)28-38(6)48(61)49(69-9)47(60)37(5)27-33)36(4)29-40-20-22-42(46(30-40)68-8)58-32-54-55-56-58/h10-12,15-16,28,32-34,36-37,39-46,48-49,61,65H,13-14,17-27,29-31H2,1-9H3/b12-10+,15-11+,35-16+,38-28+/t33-,34+,36-,37-,39-,40+,41+,42+,43+,44?,45+,46-,48-,49+,53-/m1/s1
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n/an/a 0.374n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328603
PNG
(1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(t...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCN(CC1)C(=O)C1CC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C36H28F3N5O2/c37-36(38,39)29-19-27(9-11-32(29)42-13-15-43(16-14-42)35(46)22-5-6-22)44-33(45)12-8-25-20-41-31-10-7-23(18-28(31)34(25)44)26-17-24-3-1-2-4-30(24)40-21-26/h1-4,7-12,17-22H,5-6,13-16H2
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n/an/a 1n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328584
PNG
(1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520437
PNG
(CHEMBL4562597)
Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCCOCC1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-12-11-27-10-7-25(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)24-5-2-8-26-9-6-24/h3-4,12H,2,5-11H2,1H3,(H,19,23)/t12-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328616
PNG
(1-(4-(4-Acetylpiperazin-1-yl)-3-(trifluoromethyl)p...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C34H26F3N5O2/c1-21(43)40-12-14-41(15-13-40)31-10-8-26(18-28(31)34(35,36)37)42-32(44)11-7-24-19-39-30-9-6-22(17-27(30)33(24)42)25-16-23-4-2-3-5-29(23)38-20-25/h2-11,16-20H,12-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50535640
PNG
(CHEMBL4580738)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C2)N1CCCS1(=O)=O)[C@H](C)C[C@@H]1CC[C@@H](OP(C)(C)=O)[C@@H](C1)OC |r,c:31,50,t:46,48|
Show InChI InChI=1S/C55H89N2O14PS/c1-35-18-13-12-14-19-37(3)45(57-28-17-29-73(57,65)66)34-43-24-22-41(7)55(63,70-43)52(60)53(61)56-27-16-15-20-44(56)54(62)69-46(38(4)32-42-23-26-47(48(33-42)67-8)71-72(10,11)64)25-21-36(2)31-40(6)50(59)51(68-9)49(58)39(5)30-35/h12-14,18-19,31,35-36,38-39,41-48,50-51,59,63H,15-17,20-30,32-34H2,1-11H3/b14-12+,18-13+,37-19+,40-31+/t35-,36+,38-,39-,41-,42+,43+,44+,45?,46+,47-,48-,50-,51+,55-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520427
PNG
(CHEMBL4470066)
Show SMILES CC(C)c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C16H20N6OS/c1-9(2)13-19-14(22-6-7-23-8-10(22)3)12-16(20-13)24-15(18-12)11-4-5-17-21-11/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)/t10-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328605
PNG
(1-(4-(4-(2-(4-methylpiperazin-1-yl)acetyl)piperazi...)
Show SMILES CN1CCN(CC(=O)N2CCN(CC2)c2ccc(cc2C(F)(F)F)-n2c3c(ccc2=O)cnc2ccc(cc32)-c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C39H36F3N7O2/c1-45-12-14-46(15-13-45)25-37(51)48-18-16-47(17-19-48)35-10-8-30(22-32(35)39(40,41)42)49-36(50)11-7-28-23-44-34-9-6-26(21-31(34)38(28)49)29-20-27-4-2-3-5-33(27)43-24-29/h2-11,20-24H,12-19,25H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328609
PNG
(1-(4-(1-(2-morpholinoacetyl)piperidin-4-yl)-3-(tri...)
Show SMILES FC(F)(F)c1cc(ccc1C1CCN(CC1)C(=O)CN1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C39H34F3N5O3/c40-39(41,42)33-21-30(7-8-31(33)25-11-13-46(14-12-25)37(49)24-45-15-17-50-18-16-45)47-36(48)10-6-28-22-44-35-9-5-26(20-32(35)38(28)47)29-19-27-3-1-2-4-34(27)43-23-29/h1-10,19-23,25H,11-18,24H2
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n/an/a 5n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520433
PNG
(CHEMBL4451234)
Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCOCC1 |r|
Show InChI InChI=1S/C17H21N7O2S/c1-11-10-26-9-6-24(11)14-13-16(27-15(19-13)12-2-3-18-22-12)21-17(20-14)23-4-7-25-8-5-23/h2-3,11H,4-10H2,1H3,(H,18,22)/t11-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520428
PNG
(CHEMBL4518369)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520435
PNG
(CHEMBL4442382)
Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)C1CCOCC1 |r|
Show InChI InChI=1S/C18H22N6O2S/c1-11-10-26-9-6-24(11)16-14-18(27-17(20-14)13-2-5-19-23-13)22-15(21-16)12-3-7-25-8-4-12/h2,5,11-12H,3-4,6-10H2,1H3,(H,19,23)/t11-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520430
PNG
(CHEMBL4515125)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cn[nH]n1 |r|
Show InChI InChI=1S/C17H22N8O2S/c1-10-8-26-5-3-24(10)14-13-16(28-15(19-13)12-7-18-23-22-12)21-17(20-14)25-4-6-27-9-11(25)2/h7,10-11H,3-6,8-9H2,1-2H3,(H,18,22,23)/t10-,11+/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520431
PNG
(CHEMBL4566380)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1c[nH]cn1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-8-26-5-3-24(11)15-14-17(28-16(21-14)13-7-19-10-20-13)23-18(22-15)25-4-6-27-9-12(25)2/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328607
PNG
(1-(4'-(4-methylpiperazine-1-carbonyl)-2-(trifluoro...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C40H30F3N5O2/c1-46-16-18-47(19-17-46)39(50)26-8-6-25(7-9-26)32-13-12-31(22-34(32)40(41,42)43)48-37(49)15-11-29-23-45-36-14-10-27(21-33(36)38(29)48)30-20-28-4-2-3-5-35(28)44-24-30/h2-15,20-24H,16-19H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328608
PNG
(1-(4-(1-propionyl-1,2,3,6-tetrahydropyridin-4-yl)-...)
Show SMILES CCC(=O)N1CCC(=CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 |c:7|
Show InChI InChI=1S/C36H27F3N4O2/c1-2-33(44)42-15-13-22(14-16-42)28-10-9-27(19-30(28)36(37,38)39)43-34(45)12-8-25-20-41-32-11-7-23(18-29(32)35(25)43)26-17-24-5-3-4-6-31(24)40-21-26/h3-13,17-21H,2,14-16H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328599
PNG
(1-(4-morpholino-3-(trifluoromethyl)phenyl)-9-(quin...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCOCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H23F3N4O2/c33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23/h1-10,15-19H,11-14H2
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n/an/a 35n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520426
PNG
(CHEMBL4514031)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc([nH]c2n1)-c1cccc2[nH]ccc12 |r|
Show InChI InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328588
PNG
(1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C32H24F3N5O/c33-32(34,35)26-17-24(7-9-29(26)39-13-11-36-12-14-39)40-30(41)10-6-22-18-38-28-8-5-20(16-25(28)31(22)40)23-15-21-3-1-2-4-27(21)37-19-23/h1-10,15-19,36H,11-14H2
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n/an/a 40n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328596
PNG
(9-(benzo[d][1,3]dioxol-5-yl)-1-(4-(piperazin-1-yl)...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCOc2c1
Show InChI InChI=1S/C30H23F3N4O3/c31-30(32,33)23-15-21(4-6-25(23)36-11-9-34-10-12-36)37-28(38)8-3-20-16-35-24-5-1-18(13-22(24)29(20)37)19-2-7-26-27(14-19)40-17-39-26/h1-8,13-16,34H,9-12,17H2
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n/an/a 40n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328604
PNG
(1-(4-(4-(3-(dimethylamino)propanoyl)piperazin-1-yl...)
Show SMILES CN(C)CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C37H33F3N6O2/c1-43(2)14-13-34(47)45-17-15-44(16-18-45)33-11-9-28(21-30(33)37(38,39)40)46-35(48)12-8-26-22-42-32-10-7-24(20-29(32)36(26)46)27-19-25-5-3-4-6-31(25)41-23-27/h3-12,19-23H,13-18H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520438
PNG
(CHEMBL4460774)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-11-9-26-5-3-24(11)15-14-17(28-16(21-14)13-7-19-20-8-13)23-18(22-15)25-4-6-27-10-12(25)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520439
PNG
(CHEMBL4468727)
Show SMILES C[C@@H]1COCCN1c1nc(CN2CCOCC2)nc2sc(nc12)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C18H23N7O2S/c1-12-11-27-9-6-25(12)16-15-18(28-17(22-15)13-2-3-19-23-13)21-14(20-16)10-24-4-7-26-8-5-24/h2-3,12H,4-11H2,1H3,(H,19,23)/t12-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328589
PNG
(9-(4-methoxyphenyl)-1-(4-(piperazin-1-yl)-3-(trifl...)
Show SMILES COc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C30H25F3N4O2/c1-39-23-7-2-19(3-8-23)20-4-9-26-24(16-20)29-21(18-35-26)5-11-28(38)37(29)22-6-10-27(25(17-22)30(31,32)33)36-14-12-34-13-15-36/h2-11,16-18,34H,12-15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328610
PNG
(3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)cc(C)c1=O
Show InChI InChI=1S/C36H30F3N5O2/c1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25/h4-11,16-21H,3,12-15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328614
PNG
(3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)N1C(=O)N(C)Cc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H31F3N6O2/c1-3-32(45)43-14-12-42(13-15-43)31-11-9-26(18-28(31)35(36,37)38)44-33-25(21-41(2)34(44)46)20-40-30-10-8-22(17-27(30)33)24-16-23-6-4-5-7-29(23)39-19-24/h4-11,16-20H,3,12-15,21H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520434
PNG
(CHEMBL4522946)
Show SMILES C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C18H24N8OS/c1-12-11-27-10-9-26(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-7-5-24(2)6-8-25/h3-4,12H,5-11H2,1-2H3,(H,19,23)/t12-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328595
PNG
(9-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(4-(pipe...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H25F3N4O3/c32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27/h1-8,15-18,35H,9-14H2
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n/an/a 150n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50535639
PNG
(CHEMBL4563398)
Show SMILES [H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C2)N1CCN(CCO)C1=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |r,c:31,50,t:46,48|
Show InChI InChI=1S/C55H87N3O13/c1-34-15-11-10-12-16-36(3)44(58-26-25-56(27-28-59)54(58)66)33-42-21-19-40(7)55(67,71-42)51(63)52(64)57-24-14-13-17-43(57)53(65)70-46(37(4)31-41-20-22-45(60)47(32-41)68-8)23-18-35(2)30-39(6)49(62)50(69-9)48(61)38(5)29-34/h10-12,15-16,30,34-35,37-38,40-47,49-50,59-60,62,67H,13-14,17-29,31-33H2,1-9H3/b12-10+,15-11+,36-16+,39-30+/t34-,35+,37-,38-,40-,41+,42+,43+,44?,45-,46+,47-,49-,50+,55-/m1/s1
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n/an/a 153n/an/an/an/an/an/a



Therachem Research Medilab, LLC.

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 10: 843-845 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00215
BindingDB Entry DOI: 10.7270/Q2SQ93XR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328601
PNG
(1-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-9-(q...)
Show SMILES COc1cc(ccc1-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1)N1CCC(N)CC1 |(15.76,-21.17,;15.76,-22.71,;14.43,-23.49,;13.09,-22.72,;11.76,-23.49,;11.76,-25.03,;13.09,-25.81,;14.43,-25.04,;15.75,-25.83,;15.77,-27.35,;17.1,-28.11,;18.42,-27.34,;18.4,-25.81,;17.07,-25.05,;17.05,-23.51,;17.11,-29.65,;15.77,-30.43,;14.43,-29.66,;13.11,-30.42,;11.78,-29.66,;11.78,-28.12,;13.11,-27.35,;14.43,-28.12,;10.44,-27.35,;10.45,-25.8,;9.11,-25.03,;7.78,-25.81,;6.44,-25.04,;5.1,-25.81,;5.11,-27.37,;6.45,-28.13,;7.78,-27.36,;9.11,-28.12,;10.43,-22.72,;9.1,-23.48,;7.76,-22.72,;7.76,-21.17,;6.43,-20.41,;9.1,-20.39,;10.43,-21.17,)|
Show InChI InChI=1S/C33H29N5O2/c1-40-31-18-26(37-14-12-25(34)13-15-37)8-10-30(31)38-32(39)11-7-23-19-36-29-9-6-21(17-27(29)33(23)38)24-16-22-4-2-3-5-28(22)35-20-24/h2-11,16-20,25H,12-15,34H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328602
PNG
(1-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-9-(qu...)
Show SMILES CN1CCN(Cc2ccc(cc2)-n2c3c(ccc2=O)cnc2ccc(cc32)-c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C33H29N5O/c1-36-14-16-37(17-15-36)22-23-6-10-28(11-7-23)38-32(39)13-9-26-20-35-31-12-8-24(19-29(31)33(26)38)27-18-25-4-2-3-5-30(25)34-21-27/h2-13,18-21H,14-17,22H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50520436
PNG
(CHEMBL4435029)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H25N5O3S/c1-13-11-28-8-6-25(13)18-17-20(24-21(23-18)26-7-9-29-12-14(26)2)30-19(22-17)15-4-3-5-16(27)10-15/h3-5,10,13-14,27H,6-9,11-12H2,1-2H3/t13-,14+/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594...

J Med Chem 63: 1068-1083 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01398
BindingDB Entry DOI: 10.7270/Q29S1VFW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328615
PNG
(1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C34H28F3N5O3/c1-2-31(43)41-13-11-40(12-14-41)30-10-8-25(17-27(30)34(35,36)37)42-32-24(20-45-33(42)44)19-39-29-9-7-21(16-26(29)32)23-15-22-5-3-4-6-28(22)38-18-23/h3-10,15-19H,2,11-14,20H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328613
PNG
(1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethy...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)N1C(=O)NCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C34H29F3N6O2/c1-2-31(44)42-13-11-41(12-14-42)30-10-8-25(17-27(30)34(35,36)37)43-32-24(20-40-33(43)45)19-39-29-9-7-21(16-26(29)32)23-15-22-5-3-4-6-28(22)38-18-23/h3-10,15-19H,2,11-14,20H2,1H3,(H,40,45)
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n/an/a>300n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328612
PNG
(3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c3cc(ccc3ncc2c(=O)n(C)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C35H29F3N6O3/c1-3-31(45)43-14-12-42(13-15-43)30-11-9-24(18-27(30)35(36,37)38)44-32-25-17-21(23-16-22-6-4-5-7-28(22)39-19-23)8-10-29(25)40-20-26(32)33(46)41(2)34(44)47/h4-11,16-20H,3,12-15H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328611
PNG
(4-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifl...)
Show SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(cnc3ccc(cc23)-c2cnc3ccccc3c2)c(C)cc1=O
Show InChI InChI=1S/C36H30F3N5O2/c1-3-33(45)43-14-12-42(13-15-43)32-11-9-26(19-29(32)36(37,38)39)44-34(46)16-22(2)28-21-41-31-10-8-23(18-27(31)35(28)44)25-17-24-6-4-5-7-30(24)40-20-25/h4-11,16-21H,3,12-15H2,1-2H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328606
PNG
(1-(2-(dimethylamino)ethyl)-9-(quinolin-3-yl)benzo[...)
Show SMILES CN(C)CCn1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
Show InChI InChI=1S/C25H22N4O/c1-28(2)11-12-29-24(30)10-8-19-15-27-23-9-7-17(14-21(23)25(19)29)20-13-18-5-3-4-6-22(18)26-16-20/h3-10,13-16H,11-12H2,1-2H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328600
PNG
(1-(4-(piperazin-1-ylsulfonyl)phenyl)-9-(quinolin-3...)
Show SMILES O=c1ccc2cnc3ccc(cc3c2n1-c1ccc(cc1)S(=O)(=O)N1CCNCC1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C31H25N5O3S/c37-30-12-6-23-19-34-29-11-5-21(24-17-22-3-1-2-4-28(22)33-20-24)18-27(29)31(23)36(30)25-7-9-26(10-8-25)40(38,39)35-15-13-32-14-16-35/h1-12,17-20,32H,13-16H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328598
PNG
(1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccsc1
Show InChI InChI=1S/C27H21F3N4OS/c28-27(29,30)22-14-20(3-5-24(22)33-10-8-31-9-11-33)34-25(35)6-2-18-15-32-23-4-1-17(13-21(23)26(18)34)19-7-12-36-16-19/h1-7,12-16,31H,8-11H2
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n/an/a>300n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328597
PNG
(CHEMBL1256454 | N-(4-(2-oxo-1-(4-(piperazin-1-yl)-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C30H26F3N5O3S/c1-42(40,41)36-22-6-2-19(3-7-22)20-4-9-26-24(16-20)29-21(18-35-26)5-11-28(39)38(29)23-8-10-27(25(17-23)30(31,32)33)37-14-12-34-13-15-37/h2-11,16-18,34,36H,12-15H2,1H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328594
PNG
(9-(naphthalen-2-yl)-1-(4-(piperazin-1-yl)-3-(trifl...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H25F3N4O/c34-33(35,36)28-19-26(9-11-30(28)39-15-13-37-14-16-39)40-31(41)12-8-25-20-38-29-10-7-24(18-27(29)32(25)40)23-6-5-21-3-1-2-4-22(21)17-23/h1-12,17-20,37H,13-16H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328593
PNG
(9-(2,4-dimethoxypyrimidin-5-yl)-1-(4-(piperazin-1-...)
Show SMILES COc1ncc(c(OC)n1)-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C29H25F3N6O3/c1-40-27-21(16-35-28(36-27)41-2)17-3-6-23-20(13-17)26-18(15-34-23)4-8-25(39)38(26)19-5-7-24(22(14-19)29(30,31)32)37-11-9-33-10-12-37/h3-8,13-16,33H,9-12H2,1-2H3
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328592
PNG
(9-(isoquinolin-4-yl)-1-(4-(piperazin-1-yl)-3-(trif...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cncc2ccccc12
Show InChI InChI=1S/C32H24F3N5O/c33-32(34,35)27-16-23(7-9-29(27)39-13-11-36-12-14-39)40-30(41)10-6-22-18-38-28-8-5-20(15-25(28)31(22)40)26-19-37-17-21-3-1-2-4-24(21)26/h1-10,15-19,36H,11-14H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328591
PNG
(1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cccc2Sc3ccccc3Sc12
Show InChI InChI=1S/C35H25F3N4OS2/c36-35(37,38)26-19-23(10-12-28(26)41-16-14-39-15-17-41)42-32(43)13-9-22-20-40-27-11-8-21(18-25(27)33(22)42)24-4-3-7-31-34(24)45-30-6-2-1-5-29(30)44-31/h1-13,18-20,39H,14-17H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328590
PNG
(9-(benzo[b]thiophen-3-yl)-1-(4-(piperazin-1-yl)-3-...)
Show SMILES FC(F)(F)c1cc(ccc1N1CCNCC1)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1csc2ccccc12
Show InChI InChI=1S/C31H23F3N4OS/c32-31(33,34)25-16-21(7-9-27(25)37-13-11-35-12-14-37)38-29(39)10-6-20-17-36-26-8-5-19(15-23(26)30(20)38)24-18-40-28-4-2-1-3-22(24)28/h1-10,15-18,35H,11-14H2
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328587
PNG
(1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...)
Show SMILES CN(C)CCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C34H33F3N6O/c1-41(2)14-12-33(44)43-17-15-42(16-18-43)32-10-8-26(21-28(32)34(35,36)37)40-31-11-13-38-30-9-7-23(20-27(30)31)25-19-24-5-3-4-6-29(24)39-22-25/h3-11,13,19-22H,12,14-18H2,1-2H3,(H,38,40)
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Mus musculus (Mouse))		BDBM50328586
PNG
(1-(4-(4-([3,6'-biquinolin]-4'-ylamino)-2-(trifluor...)
Show SMILES COCCC(=O)N1CCN(CC1)c1ccc(Nc2ccnc3ccc(cc23)-c2cnc3ccccc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C33H30F3N5O2/c1-43-17-11-32(42)41-15-13-40(14-16-41)31-9-7-25(20-27(31)33(34,35)36)39-30-10-12-37-29-8-6-22(19-26(29)30)24-18-23-4-2-3-5-28(23)38-21-24/h2-10,12,18-21H,11,13-17H2,1H3,(H,37,39)
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UniChem

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n/an/a>300n/an/an/an/an/an/a



Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting

J Med Chem 53: 7146-55 (2010)


Article DOI: 10.1021/jm101144f
BindingDB Entry DOI: 10.7270/Q2M32W0R
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Ligand-Target Pair
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