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Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'perrin-ninkovic' and Initial = 'sm'   
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


(Homo sapiens (Human))		BDBM50362941
PNG
(CHEMBL1946264)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27)
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n/an/a 2n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362903
PNG
(CHEMBL1945953)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25)
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n/an/a 2n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50431522
PNG
(CHEMBL2348865)
Show SMILES O=c1[nH]c2ncc(nc2n1CCC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C20H21N7O2/c28-20-25-18-19(27(20)8-5-13-6-9-29-10-7-13)24-16(11-21-18)14-1-3-15(4-2-14)17-22-12-23-26-17/h1-4,11-13H,5-10H2,(H,21,25,28)(H,22,23,26)
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n/an/a 2n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis

Bioorg Med Chem Lett 23: 1588-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.110
BindingDB Entry DOI: 10.7270/Q21N82GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093070
PNG
(CHEMBL3586561)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
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n/an/a 3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092784
PNG
(CHEMBL3586382)
Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1
Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27)
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n/an/a 4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093070
PNG
(CHEMBL3586561)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
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n/an/a 4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092785
PNG
(CHEMBL3586383)
Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092786
PNG
(CHEMBL3586384)
Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28)
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n/an/a 5n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362928
PNG
(CHEMBL1945955)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)12-13-5-9-28-10-6-13)24-16(11-23-18)14-1-3-15(4-2-14)17-21-7-8-22-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22)(H,23,25,27)
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n/an/a 5n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362942
PNG
(CHEMBL1946265)
Show SMILES CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1
Show InChI InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27)
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093075
PNG
(CHEMBL3586566)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50431521
PNG
(CHEMBL2348864)
Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50431521
PNG
(CHEMBL2348864)
Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis

Bioorg Med Chem Lett 23: 1588-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.110
BindingDB Entry DOI: 10.7270/Q21N82GM
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50092782
PNG
(CHEMBL3586387)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093075
PNG
(CHEMBL3586566)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362927
PNG
(CHEMBL1945954)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-17(12-24-19)15-6-8-16(9-7-15)18-22-10-11-23-18/h6-12,14H,1-5,13H2,(H,22,23)(H,24,26,28)
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n/an/a 9n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362926
PNG
(CHEMBL1945952)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C20H21N7O/c28-20-25-18-19(27(20)11-13-4-2-1-3-5-13)24-16(10-21-18)14-6-8-15(9-7-14)17-22-12-23-26-17/h6-10,12-13H,1-5,11H2,(H,21,25,28)(H,22,23,26)
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n/an/a 9n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092783
PNG
(CHEMBL3586404)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093077
PNG
(CHEMBL3586568)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093080
PNG
(CHEMBL3586571)
Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362940
PNG
(CHEMBL1946263)
Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1
Show InChI InChI=1S/C18H19N7O2/c19-17-22-12-2-1-11(7-13(12)23-17)14-8-20-15-16(21-14)25(18(26)24-15)9-10-3-5-27-6-4-10/h1-2,7-8,10H,3-6,9H2,(H3,19,22,23)(H,20,24,26)
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093076
PNG
(CHEMBL3586567)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,wD:19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;1.32,7.39,;2.66,5.39,;2.66,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093069
PNG
(CHEMBL3586560)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27)
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092769
PNG
(CHEMBL3586397)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:5.5,2.1,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;5.34,-3.84,;4,-3.07,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,;2.68,-5.39,;4.01,-6.15,)|
Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092782
PNG
(CHEMBL3586387)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092782
PNG
(CHEMBL3586387)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))		BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 15n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DNA PK

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093074
PNG
(CHEMBL3586565)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 15n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093069
PNG
(CHEMBL3586560)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C20H22N8O2/c1-12-14(2-3-15(25-12)18-23-11-24-27-18)16-8-21-19-20(26-16)28(17(29)9-22-19)10-13-4-6-30-7-5-13/h2-3,8,11,13H,4-7,9-10H2,1H3,(H,21,22)(H,23,24,27)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092780
PNG
(CHEMBL3586385)
Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(nc1)-c1nc[nH]n1
Show InChI InChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27)
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n/an/a 18n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093076
PNG
(CHEMBL3586567)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,wD:19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;1.32,7.39,;2.66,5.39,;2.66,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 19n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093080
PNG
(CHEMBL3586571)
Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093074
PNG
(CHEMBL3586565)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362939
PNG
(CHEMBL1946262)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26)
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n/an/a 21n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362943
PNG
(CHEMBL1946266)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25)
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n/an/a 21n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 21n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093082
PNG
(CHEMBL3586573)
Show SMILES CCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
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n/an/a 23n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092793
PNG
(CHEMBL3586380)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1
Show InChI InChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(25-18)26(19(27)14-24-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,23,24)
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n/an/a 25n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093077
PNG
(CHEMBL3586568)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26)
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n/an/a 26n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50093071
PNG
(CHEMBL3586562)
Show SMILES CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
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n/an/a 27n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50092783
PNG
(CHEMBL3586404)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-
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n/an/a 28n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of cFMS (unknown origin)

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))		BDBM50092783
PNG
(CHEMBL3586404)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-
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n/an/a 30n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362925
PNG
(CHEMBL1945950)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26)
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n/an/a 30n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50362938
PNG
(CHEMBL1946261)
Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C18H18N6O2/c25-18-23-16-17(24(18)9-11-3-5-26-6-4-11)22-15(8-19-16)12-1-2-13-14(7-12)21-10-20-13/h1-2,7-8,10-11H,3-6,9H2,(H,20,21)(H,19,23,25)
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n/an/a 30n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR

Bioorg Med Chem Lett 21: 6793-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093078
PNG
(CHEMBL3586569)
Show SMILES CC(C)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C17H18N8O/c1-9(2)25-14(26)7-19-16-17(25)23-13(6-18-16)11-4-5-12(22-10(11)3)15-20-8-21-24-15/h4-6,8-9H,7H2,1-3H3,(H,18,19)(H,20,21,24)
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n/an/a 30n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093071
PNG
(CHEMBL3586562)
Show SMILES CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)|
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n/an/a 31n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092787
PNG
(CHEMBL3585359)
Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1
Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(25-16)26(18(27)13-24-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,24)
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n/an/a 33n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093068
PNG
(CHEMBL3586559)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCN3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C20H23N9O2/c1-13-14(2-3-15(25-13)18-23-12-24-27-18)16-10-21-19-20(26-16)29(17(30)11-22-19)5-4-28-6-8-31-9-7-28/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)(H,23,24,27)
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n/an/a 37n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50092766
PNG
(CHEMBL3586401)
Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:22.23,wD:19.19,(-9.08,-3.23,;-8.02,-3.85,;-9.08,-4.47,;-8.02,-5.08,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;-0,-3.85,;-.01,-5.39,;1.33,-6.16,;1.32,-7.39,;2.66,-5.39,;2.66,-3.85,;,-.77,;-1.33,-1.54,)|
Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50093073
PNG
(CHEMBL3586564)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1 |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)|
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n/an/a 41n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay

J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
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