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Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'robarge' and Initial = 'kd'   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439517
PNG
(CHEMBL2418349)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ncc2n1 |r|
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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 |r|
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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343766
PNG
((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NCCO)cc1 |r|
Show InChI InChI=1S/C22H29N5O4/c1-14-12-30-11-9-27(14)20-17-13-31-22(2,3)18(17)25-19(26-20)15-4-6-16(7-5-15)24-21(29)23-8-10-28/h4-7,14,28H,8-13H2,1-3H3,(H2,23,24,29)/t14-/m0/s1
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1.60n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343751
PNG
(1-ethyl-3-(4-((R)-7-(hydroxymethyl)-7-methyl-4-((S...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CO)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H29N5O4/c1-4-23-21(29)24-16-7-5-15(6-8-16)19-25-18-17(12-31-22(18,3)13-28)20(26-19)27-9-10-30-11-14(27)2/h5-8,14,28H,4,9-13H2,1-3H3,(H2,23,24,29)/t14-,22-/m0/s1
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1.70n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343784
PNG
(1-Ethyl-3-(4-((S)-7-(2-methoxyethyl)-7-methyl-4-((...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCOC)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C24H33N5O4/c1-5-25-23(30)26-18-8-6-17(7-9-18)21-27-20-19(15-33-24(20,3)10-12-31-4)22(28-21)29-11-13-32-14-16(29)2/h6-9,16H,5,10-15H2,1-4H3,(H2,25,26,30)/t16-,24-/m0/s1
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1.70n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343756
PNG
((S)-1-ethyl-3-(4-(7-(2-hydroxy-2-methylpropyl)-7-m...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC(C)(C)O)c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C24H33N5O4/c1-5-25-22(30)26-17-8-6-16(7-9-17)20-27-19-18(14-33-24(19,4)15-23(2,3)31)21(28-20)29-10-12-32-13-11-29/h6-9,31H,5,10-15H2,1-4H3,(H2,25,26,30)/t24-/m0/s1
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1.80n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50439514
PNG
(CHEMBL2418352)
Show SMILES CC(C)(O)c1nc2c(nc(nc2n1CCO)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H24N8O3/c1-18(2,28)16-22-12-14(25-4-7-29-8-5-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)3-6-27/h9-10,27-28H,3-8H2,1-2H3,(H2,19,20,21)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of TAMRA-PIP3 from PI3Kalpha GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439516
PNG
(CHEMBL2418350)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r|
Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1
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2n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343755
PNG
(1-Ethyl-3-(4-((S)-7-(2-hydroxy-2-methylpropyl)-7-m...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC(C)(C)O)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H35N5O4/c1-6-26-23(31)27-18-9-7-17(8-10-18)21-28-20-19(14-34-25(20,5)15-24(3,4)32)22(29-21)30-11-12-33-13-16(30)2/h7-10,16,32H,6,11-15H2,1-5H3,(H2,26,27,31)/t16-,25-/m0/s1
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2.30n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343765
PNG
(1-(4-(7,7-Dimethyl-4-morpholino-5-oxo-5,7-dihydrof...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(C(=O)OC2(C)C)c(n1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O4/c1-4-22-20(28)23-14-7-5-13(6-8-14)17-24-16-15(19(27)30-21(16,2)3)18(25-17)26-9-11-29-12-10-26/h5-8H,4,9-12H2,1-3H3,(H2,22,23,28)
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2.60n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343778
PNG
((R)-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 |r|
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-/m1/s1
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2.90n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343759
PNG
(1-ethyl-3-(4-(6-(2-hydroxypropan-2-yl)-4-morpholin...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
Show InChI InChI=1S/C22H27N5O3S/c1-4-23-21(28)24-15-7-5-14(6-8-15)19-25-16-13-17(22(2,3)29)31-18(16)20(26-19)27-9-11-30-12-10-27/h5-8,13,29H,4,9-12H2,1-3H3,(H2,23,24,28)
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3n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343768
PNG
((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NC2COC2)cc1 |r|
Show InChI InChI=1S/C23H29N5O4/c1-14-10-30-9-8-28(14)21-18-13-32-23(2,3)19(18)26-20(27-21)15-4-6-16(7-5-15)24-22(29)25-17-11-31-12-17/h4-7,14,17H,8-13H2,1-3H3,(H2,24,25,29)/t14-/m0/s1
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3n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343767
PNG
((S)-1-(2-Cyanoethyl)-3-(4-(7,7-dimethyl-4-(3-methy...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NCCC#N)cc1 |r|
Show InChI InChI=1S/C23H28N6O3/c1-15-13-31-12-11-29(15)21-18-14-32-23(2,3)19(18)27-20(28-21)16-5-7-17(8-6-16)26-22(30)25-10-4-9-24/h5-8,15H,4,10-14H2,1-3H3,(H2,25,26,30)/t15-/m0/s1
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3.20n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343757
PNG
(1-Ethyl-3-(4-((R)-7-(2-hydroxy-2-methylpropyl)-7-m...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CC(C)(C)O)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H35N5O4/c1-6-26-23(31)27-18-9-7-17(8-10-18)21-28-20-19(14-34-25(20,5)15-24(3,4)32)22(29-21)30-11-12-33-13-16(30)2/h7-10,16,32H,6,11-15H2,1-5H3,(H2,26,27,31)/t16-,25+/m0/s1
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3.20n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343770
PNG
(1-((R)-2,3-Dihydroxypropyl)-3-(4-(7,7-dimethyl-4-(...)
Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NC[C@@H](O)CO)cc1 |r|
Show InChI InChI=1S/C23H31N5O5/c1-14-12-32-9-8-28(14)21-18-13-33-23(2,3)19(18)26-20(27-21)15-4-6-16(7-5-15)25-22(31)24-10-17(30)11-29/h4-7,14,17,29-30H,8-13H2,1-3H3,(H2,24,25,31)/t14-,17+/m0/s1
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3.60n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50439514
PNG
(CHEMBL2418352)
Show SMILES CC(C)(O)c1nc2c(nc(nc2n1CCO)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H24N8O3/c1-18(2,28)16-22-12-14(25-4-7-29-8-5-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)3-6-27/h9-10,27-28H,3-8H2,1-2H3,(H2,19,20,21)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of TAMRA-PIP3 from PI3Kdelta GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439522
PNG
(CHEMBL2418344)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)cnc2n1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-16-12-30-11-10-28(16)20-17-19(23-13-27(17)3)25-18(26-20)14-6-8-15(9-7-14)24-21(29)22-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3,(H2,22,24,29)/t16-/m0/s1
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4n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343777
PNG
(1-Ethyl-3-(4-((R)-7-(2-hydroxyethyl)-7-methyl-4-((...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCO)c(n1)N1CCOC[C@@H]1C |r|
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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4n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343752
PNG
((R)-1-ethyl-3-(4-(7-(hydroxymethyl)-7-methyl-4-mor...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CO)c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27N5O4/c1-3-22-20(28)23-15-6-4-14(5-7-15)18-24-17-16(12-30-21(17,2)13-27)19(25-18)26-8-10-29-11-9-26/h4-7,27H,3,8-13H2,1-2H3,(H2,22,23,28)/t21-/m0/s1
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4.40n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343758
PNG
((R)-1-ethyl-3-(4-(7-(2-hydroxy-2-methylpropyl)-7-m...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CC(C)(C)O)c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C24H33N5O4/c1-5-25-22(30)26-17-8-6-16(7-9-17)20-27-19-18(14-33-24(19,4)15-23(2,3)31)21(28-20)29-10-12-32-13-11-29/h6-9,31H,5,10-15H2,1-4H3,(H2,25,26,30)/t24-/m1/s1
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4.70n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343762
PNG
(1-ethyl-3-(4-(4-morpholino-5,7-dihydrofuro[3,4-d]p...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2COCc2c(n1)N1CCOCC1
Show InChI InChI=1S/C19H23N5O3/c1-2-20-19(25)21-14-5-3-13(4-6-14)17-22-16-12-27-11-15(16)18(23-17)24-7-9-26-10-8-24/h3-6H,2,7-12H2,1H3,(H2,20,21,25)
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6n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439519
PNG
(CHEMBL2418347)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ccc2n1 |r|
Show InChI InChI=1S/C22H28N6O2/c1-4-17-14-30-13-12-28(17)21-19-18(10-11-27(19)3)25-20(26-21)15-6-8-16(9-7-15)24-22(29)23-5-2/h6-11,17H,4-5,12-14H2,1-3H3,(H2,23,24,29)/t17-/m0/s1
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6n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343753
PNG
(1-ethyl-3-(4-((S)-7-(hydroxymethyl)-7-methyl-4-((S...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CO)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H29N5O4/c1-4-23-21(29)24-16-7-5-15(6-8-16)19-25-18-17(12-31-22(18,3)13-28)20(26-19)27-9-10-30-11-14(27)2/h5-8,14,28H,4,9-13H2,1-3H3,(H2,23,24,29)/t14-,22+/m0/s1
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6.80n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439512
PNG
(CHEMBL2418354)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C23H31N7O3/c1-6-24-22(31)25-16-9-7-15(8-10-16)18-27-19-17(26-21(29(19)5)23(3,4)32)20(28-18)30-11-12-33-13-14(30)2/h7-10,14,32H,6,11-13H2,1-5H3,(H2,24,25,31)/t14-/m0/s1
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7n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343782
PNG
(1-(4-((S)-7-(2-(Dimethylamino)ethyl)-7-methyl-4-((...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCN(C)C)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C25H36N6O3/c1-6-26-24(32)27-19-9-7-18(8-10-19)22-28-21-20(16-34-25(21,3)11-12-30(4)5)23(29-22)31-13-14-33-15-17(31)2/h7-10,17H,6,11-16H2,1-5H3,(H2,26,27,32)/t17-,25-/m0/s1
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7n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343750
PNG
(1-Ethyl-3-(4-((R)-7-(2-methoxyethyl)-7-methyl-4-((...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCOC)c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C24H33N5O4/c1-5-25-23(30)26-18-8-6-17(7-9-18)21-27-20-19(15-33-24(20,3)10-12-31-4)22(28-21)29-11-13-32-14-16(29)2/h6-9,16H,5,10-15H2,1-4H3,(H2,25,26,30)/t16-,24+/m0/s1
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7.90n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439518
PNG
(CHEMBL2418348)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)ncc2n1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)18-24-16-11-22-26(3)17(16)19(25-18)27-9-10-29-12-13(27)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,21,23,28)/t13-/m0/s1
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8n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439526
PNG
(CHEMBL2418340)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2ncn(CC)c2n1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-22-21(29)24-16-8-6-15(7-9-16)18-25-19-17(23-13-27(19)5-2)20(26-18)28-10-11-30-12-14(28)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H2,22,24,29)/t14-/m0/s1
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8n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439513
PNG
(CHEMBL2418353)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2nc(n(CCO)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C24H33N7O4/c1-5-25-23(33)26-17-8-6-16(7-9-17)19-28-20(30-11-13-35-14-15(30)2)18-21(29-19)31(10-12-32)22(27-18)24(3,4)34/h6-9,15,32,34H,5,10-14H2,1-4H3,(H2,25,26,33)/t15-/m0/s1
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9.5n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343760
PNG
(1-ethyl-3-(4-(4-morpholino-7,8-dihydro-6H-pyrano[3...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCCOc2c(n1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O3/c1-2-21-20(26)22-15-7-5-14(6-8-15)18-23-16-4-3-11-28-17(16)19(24-18)25-9-12-27-13-10-25/h5-8H,2-4,9-13H2,1H3,(H2,21,22,26)
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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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439511
PNG
(CHEMBL2418337)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2ncn(C)c2n1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(22-12-26(18)3)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/m0/s1
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12n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439520
PNG
(CHEMBL2418346)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)ccc2n1 |r|
Show InChI InChI=1S/C21H26N6O2/c1-4-22-21(28)23-16-7-5-15(6-8-16)19-24-17-9-10-26(3)18(17)20(25-19)27-11-12-29-13-14(27)2/h5-10,14H,4,11-13H2,1-3H3,(H2,22,23,28)/t14-/m0/s1
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19n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343754
PNG
((S)-1-ethyl-3-(4-(7-(hydroxymethyl)-7-methyl-4-mor...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CO)c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27N5O4/c1-3-22-20(28)23-15-6-4-14(5-7-15)18-24-17-16(12-30-21(17,2)13-27)19(25-18)26-8-10-29-11-9-26/h4-7,27H,3,8-13H2,1-2H3,(H2,22,23,28)/t21-/m1/s1
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21n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50343761
PNG
(1-ethyl-3-(4-(4-morpholino-7,8-dihydro-5H-pyrano[4...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCOCc2c(n1)N1CCOCC1
Show InChI InChI=1S/C20H25N5O3/c1-2-21-20(26)22-15-5-3-14(4-6-15)18-23-17-7-10-28-13-16(17)19(24-18)25-8-11-27-12-9-25/h3-6H,2,7-13H2,1H3,(H2,21,22,26)
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25n/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


J Med Chem 54: 3426-35 (2011)


Article DOI: 10.1021/jm200215y
BindingDB Entry DOI: 10.7270/Q29C6XRH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439515
PNG
(CHEMBL2418351)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2C[C@@H]3C[C@H]2CO3)c2n(C)ncc2n1 |r,THB:14:15:20.21:18|
Show InChI InChI=1S/C20H23N7O2/c1-3-21-20(28)23-13-6-4-12(5-7-13)18-24-16-9-22-26(2)17(16)19(25-18)27-10-15-8-14(27)11-29-15/h4-7,9,14-15H,3,8,10-11H2,1-2H3,(H2,21,23,28)/t14-,15-/m0/s1
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28n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439527
PNG
(CHEMBL2418339)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/m0/s1
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30n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50439528
PNG
(CHEMBL2418338)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O |r|
Show InChI InChI=1S/C23H31N7O3/c1-6-24-22(31)25-16-9-7-15(8-10-16)18-26-19-17(29(5)21(28-19)23(3,4)32)20(27-18)30-11-12-33-13-14(30)2/h7-10,14,32H,6,11-13H2,1-5H3,(H2,24,25,31)/t14-/m0/s1
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30n/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...


Bioorg Med Chem Lett 23: 5097-104 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.027
BindingDB Entry DOI: 10.7270/Q2QN687D
More data for this
Ligand-Target Pair
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