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Compile Data Set for Download or QSAR

Found 624 hits with Last Name = 'curran' and Initial = 'k'   
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))
BDBM35595
PNG
(pyrazolo pyrimidine, 28)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C30H34N8O5/c1-42-30(41)37-12-10-24(11-13-37)38-28-25(18-31-38)27(36-14-16-43-17-15-36)34-26(35-28)21-4-8-23(9-5-21)33-29(40)32-22-6-2-20(19-39)3-7-22/h2-9,18,24,39H,10-17,19H2,1H3,(H2,32,33,40)
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n/an/a 0.0800n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239500
PNG
(CHEMBL4066705)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r|
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316254
PNG
(CHEMBL1098245 | methyl 4-(6-(4-(3-(4-(2-hydroxyeth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C31H36N8O5/c1-43-31(42)38-13-10-25(11-14-38)39-29-26(20-32-39)28(37-15-18-44-19-16-37)35-27(36-29)22-4-8-24(9-5-22)34-30(41)33-23-6-2-21(3-7-23)12-17-40/h2-9,20,25,40H,10-19H2,1H3,(H2,33,34,41)
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n/an/a 0.100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303298
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33|
Show InChI InChI=1S/C27H29N7O3/c1-2-34-26-23(13-28-34)25(33-14-21-11-12-22(15-33)37-21)31-24(32-26)18-5-9-20(10-6-18)30-27(36)29-19-7-3-17(16-35)4-8-19/h3-10,13,21-22,35H,2,11-12,14-16H2,1H3,(H2,29,30,36)
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n/an/a 0.100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303299
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:30:37:33.34|
Show InChI InChI=1S/C28H31N7O3/c1-2-35-27-24(15-29-35)26(34-16-22-11-12-23(17-34)38-22)32-25(33-27)19-5-9-21(10-6-19)31-28(37)30-20-7-3-18(4-8-20)13-14-36/h3-10,15,22-23,36H,2,11-14,16-17H2,1H3,(H2,30,31,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303282
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31|
Show InChI InChI=1S/C25H26N8O2/c1-2-33-24-21(13-27-33)23(32-14-19-9-10-20(15-32)35-19)30-22(31-24)16-5-7-17(8-6-16)28-25(34)29-18-4-3-11-26-12-18/h3-8,11-13,19-20H,2,9-10,14-15H2,1H3,(H2,28,29,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315080
PNG
(4-(3-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1C2CCC1COC2 |r|
Show InChI InChI=1S/C32H41N9O4/c1-21-18-44-17-16-40(21)30-36-28(37-31(38-30)41-26-12-13-27(41)20-45-19-26)22-4-8-24(9-5-22)34-32(43)35-25-10-6-23(7-11-25)29(42)33-14-15-39(2)3/h4-11,21,26-27H,12-20H2,1-3H3,(H,33,42)(H2,34,35,43)/t21-,26?,27?/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300067
PNG
(CHEMBL573157 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2
Show InChI InChI=1S/C30H33N9O4/c1-42-30(41)37-13-10-22(11-14-37)39-28-25(16-32-39)27(38-17-23-8-9-24(18-38)43-23)35-26(36-28)19-4-6-20(7-5-19)33-29(40)34-21-3-2-12-31-15-21/h2-7,12,15-16,22-24H,8-11,13-14,17-18H2,1H3,(H2,33,34,40)
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n/an/a 0.110n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306624
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-is...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C(C)C)c2n1
Show InChI InChI=1S/C22H27N7O2/c1-13(2)29-21-18(10-24-29)20(28-11-16-8-9-17(12-28)31-16)26-19(27-21)14-4-6-15(7-5-14)25-22(30)23-3/h4-7,10,13,16-17H,8-9,11-12H2,1-3H3,(H2,23,25,30)
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n/an/a 0.120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306639
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-9-13-32-14-10-22)34-21-3-1-20(2-4-21)27-36-28(38-18-24-5-6-25(19-38)43-24)26-17-33-39(29(26)37-27)23-7-11-31(12-8-23)41-15-16-42-31/h1-4,9-10,13-14,17,23-25H,5-8,11-12,15-16,18-19H2,(H2,32,34,35,40)
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n/an/a 0.120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306640
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1)Nc1cccnc1
Show InChI InChI=1S/C31H34N8O4/c40-30(35-22-2-1-13-32-16-22)34-21-5-3-20(4-6-21)27-36-28(38-18-24-7-8-25(19-38)43-24)26-17-33-39(29(26)37-27)23-9-11-31(12-10-23)41-14-15-42-31/h1-6,13,16-17,23-25H,7-12,14-15,18-19H2,(H2,34,35,40)
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n/an/a 0.120n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315071
PNG
(4-(3-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6...)
Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
Show InChI InChI=1S/C32H40N8O4/c1-39(2)16-15-33-30(41)23-5-9-25(10-6-23)35-32(42)34-24-7-3-21(4-8-24)28-36-29(22-13-17-43-18-14-22)38-31(37-28)40-26-11-12-27(40)20-44-19-26/h3-10,22,26-27H,11-20H2,1-2H3,(H,33,41)(H2,34,35,42)
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n/an/a 0.140n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300072
PNG
(CHEMBL573202 | methyl 4-(4-(3-oxa-8-azabicyclo[3.2...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C2CCC1COC2
Show InChI InChI=1S/C30H33N9O4/c1-42-30(41)37-13-10-22(11-14-37)39-28-25(16-32-39)27(38-23-8-9-24(38)18-43-17-23)35-26(36-28)19-4-6-20(7-5-19)33-29(40)34-21-3-2-12-31-15-21/h2-7,12,15-16,22-24H,8-11,13-14,17-18H2,1H3,(H2,33,34,40)
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n/an/a 0.160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306638
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C32H35N7O4/c40-31(34-22-4-2-1-3-5-22)35-23-8-6-21(7-9-23)28-36-29(38-19-25-10-11-26(20-38)43-25)27-18-33-39(30(27)37-28)24-12-14-32(15-13-24)41-16-17-42-32/h1-9,18,24-26H,10-17,19-20H2,(H2,34,35,40)
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n/an/a 0.160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300077
PNG
(CHEMBL578645 | ethyl 4-(6-(4-(3-ethylureido)phenyl...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OCC)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-3-27-25(35)29-19-7-5-18(6-8-19)22-30-23(32-13-15-37-16-14-32)21-17-28-34(24(21)31-22)20-9-11-33(12-10-20)26(36)38-4-2/h5-8,17,20H,3-4,9-16H2,1-2H3,(H2,27,29,35)
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n/an/a 0.170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315056
PNG
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)
Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C29H33N7O4/c37-13-18-1-5-20(6-2-18)30-29(38)31-21-7-3-19(4-8-21)26-32-27(35-22-9-10-23(35)15-39-14-22)34-28(33-26)36-24-11-12-25(36)17-40-16-24/h1-8,22-25,37H,9-17H2,(H2,30,31,38)
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n/an/a 0.180n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306620
PNG
(CHEMBL606423 | isopropyl 4-(4-(8-oxa-3-azabicyclo[...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C28H36N8O4/c1-17(2)39-28(38)34-12-10-20(11-13-34)36-26-23(14-30-36)25(35-15-21-8-9-22(16-35)40-21)32-24(33-26)18-4-6-19(7-5-18)31-27(37)29-3/h4-7,14,17,20-22H,8-13,15-16H2,1-3H3,(H2,29,31,37)
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n/an/a 0.190n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300070
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)
Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2
Show InChI InChI=1S/C25H23F3N8O2/c26-25(27,28)14-36-23-20(11-30-36)22(35-12-18-7-8-19(13-35)38-18)33-21(34-23)15-3-5-16(6-4-15)31-24(37)32-17-2-1-9-29-10-17/h1-6,9-11,18-19H,7-8,12-14H2,(H2,31,32,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303281
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37|
Show InChI InChI=1S/C30H34N8O3/c1-2-38-29-26(17-31-38)28(37-18-24-11-12-25(19-37)41-24)34-27(35-29)20-3-5-21(6-4-20)32-30(39)33-22-7-9-23(10-8-22)36-13-15-40-16-14-36/h3-10,17,24-25H,2,11-16,18-19H2,1H3,(H2,32,33,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35592
PNG
(pyrazolo pyrimidine, 24)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H31N9O4/c1-40-28(39)36-11-8-22(9-12-36)37-26-23(18-30-37)25(35-13-15-41-16-14-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-3-2-10-29-17-21/h2-7,10,17-18,22H,8-9,11-16H2,1H3,(H2,31,32,38)
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Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300071
PNG
(CHEMBL577137 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C27H34N8O4/c1-3-28-26(36)30-18-6-4-17(5-7-18)23-31-24(34-15-20-8-9-21(16-34)39-20)22-14-29-35(25(22)32-23)19-10-12-33(13-11-19)27(37)38-2/h4-7,14,19-21H,3,8-13,15-16H2,1-2H3,(H2,28,30,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303292
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)
Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCNCC2)cc1)N1CC2CCC(C1)O2 |TLB:9:36:43:39.40|
Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)18-42-28-25(15-35-42)27(41-16-23-9-10-24(17-41)44-23)38-26(39-28)19-1-3-20(4-2-19)36-29(43)37-21-5-7-22(8-6-21)40-13-11-34-12-14-40/h1-8,15,23-24,34H,9-14,16-18H2,(H2,36,37,43)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303295
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33|
Show InChI InChI=1S/C27H30N8O2/c1-2-35-26-23(14-29-35)25(34-15-21-11-12-22(16-34)37-21)32-24(33-26)18-5-9-20(10-6-18)31-27(36)30-19-7-3-17(13-28)4-8-19/h3-10,14,21-22H,2,11-13,15-16,28H2,1H3,(H2,30,31,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303280
PNG
(4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN2CCCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:35:42:38.39|
Show InChI InChI=1S/C31H35N9O3/c1-2-40-29-26(17-32-40)28(38-18-24-13-14-25(19-38)43-24)35-27(36-29)20-5-9-22(10-6-20)33-31(42)34-23-11-7-21(8-12-23)30(41)37-39-15-3-4-16-39/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H,37,41)(H2,33,34,42)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300075
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(2...)
Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1C2CCC1COC2
Show InChI InChI=1S/C25H23F3N8O2/c26-25(27,28)14-35-22-20(11-30-35)23(36-18-7-8-19(36)13-38-12-18)34-21(33-22)15-3-5-16(6-4-15)31-24(37)32-17-2-1-9-29-10-17/h1-6,9-11,18-19H,7-8,12-14H2,(H2,31,32,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50239499
PNG
(CHEMBL4081711)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 5521-5542 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00231
BindingDB Entry DOI: 10.7270/Q26D5W42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316255
PNG
(CHEMBL1095932 | Isopropyl 4-(6-(4-(3-Methylureido)...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)C)c2n1
Show InChI InChI=1S/C26H34N8O4/c1-17(2)38-26(36)33-10-8-20(9-11-33)34-24-21(16-28-34)23(32-12-14-37-15-13-32)30-22(31-24)18-4-6-19(7-5-18)29-25(35)27-3/h4-7,16-17,20H,8-15H2,1-3H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35592
PNG
(pyrazolo pyrimidine, 24)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H31N9O4/c1-40-28(39)36-11-8-22(9-12-36)37-26-23(18-30-37)25(35-13-15-41-16-14-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-3-2-10-29-17-21/h2-7,10,17-18,22H,8-9,11-16H2,1H3,(H2,31,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306633
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)
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n/an/a 0.210n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300066
PNG
(CHEMBL568259 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C26H32N8O4/c1-27-25(35)29-17-5-3-16(4-6-17)22-30-23(33-14-19-7-8-20(15-33)38-19)21-13-28-34(24(21)31-22)18-9-11-32(12-10-18)26(36)37-2/h3-6,13,18-20H,7-12,14-15H2,1-2H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300066
PNG
(CHEMBL568259 | methyl 4-(4-(8-oxa-3-azabicyclo[3.2...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C26H32N8O4/c1-27-25(35)29-17-5-3-16(4-6-17)22-30-23(33-14-19-7-8-20(15-33)38-19)21-13-28-34(24(21)31-22)18-9-11-32(12-10-18)26(36)37-2/h3-6,13,18-20H,7-12,14-15H2,1-2H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300078
PNG
(CHEMBL574012 | methyl 4-(4-(3-oxa-8-azabicyclo[3.2...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2C3CCC2COC3)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C26H32N8O4/c1-27-25(35)29-17-5-3-16(4-6-17)22-30-23(33-19-7-8-20(33)15-38-14-19)21-13-28-34(24(21)31-22)18-9-11-32(12-10-18)26(36)37-2/h3-6,13,18-20H,7-12,14-15H2,1-2H3,(H2,27,29,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306636
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C28H34FN7O4/c29-11-12-30-27(37)32-19-3-1-18(2-4-19)24-33-25(35-16-21-5-6-22(17-35)40-21)23-15-31-36(26(23)34-24)20-7-9-28(10-8-20)38-13-14-39-28/h1-4,15,20-22H,5-14,16-17H2,(H2,30,32,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306627
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC(=O)CC3)c2n1
Show InChI InChI=1S/C25H29N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17,19-20H,6-11,13-14H2,1H3,(H2,26,28,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306637
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C29H35N7O4/c37-28(32-20-5-6-20)31-19-3-1-18(2-4-19)25-33-26(35-16-22-7-8-23(17-35)40-22)24-15-30-36(27(24)34-25)21-9-11-29(12-10-21)38-13-14-39-29/h1-4,15,20-23H,5-14,16-17H2,(H2,31,32,37)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300074
PNG
(1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyr...)
Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
Show InChI InChI=1S/C23H21F3N8O2/c24-23(25,26)14-34-21-18(13-28-34)20(33-8-10-36-11-9-33)31-19(32-21)15-3-5-16(6-4-15)29-22(35)30-17-2-1-7-27-12-17/h1-7,12-13H,8-11,14H2,(H2,29,30,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300069
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)
Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC(F)(F)F)c2n1
Show InChI InChI=1S/C22H23F4N7O2/c23-7-8-27-21(34)29-14-3-1-13(2-4-14)18-30-19(32-10-15-5-6-16(11-32)35-15)17-9-28-33(20(17)31-18)12-22(24,25)26/h1-4,9,15-16H,5-8,10-12H2,(H2,27,29,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306628
PNG
(CHEMBL610630 | trans-1-(4-(4-(8-oxa-3-azabicyclo[3...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:26.28,wD:29.32,(3.02,-14.8,;4.36,-15.56,;5.68,-14.79,;5.68,-13.25,;7.02,-15.55,;8.35,-14.78,;8.35,-13.24,;9.67,-12.47,;11.01,-13.24,;11.01,-14.77,;9.69,-15.55,;12.33,-12.47,;12.33,-10.92,;13.67,-10.15,;13.67,-8.59,;12.33,-7.83,;12.33,-6.27,;12.92,-4.89,;14.43,-4.89,;15.02,-6.27,;15.02,-7.83,;13.67,-5.5,;15.02,-10.92,;16.48,-10.43,;17.4,-11.68,;16.49,-12.93,;16.97,-14.39,;18.51,-14.4,;19.27,-15.74,;18.48,-17.07,;19.24,-18.41,;16.94,-17.05,;16.19,-15.72,;15.02,-12.46,;13.67,-13.24,)|
Show InChI InChI=1S/C25H31N7O3/c1-26-25(34)28-16-4-2-15(3-5-16)22-29-23(31-13-19-10-11-20(14-31)35-19)21-12-27-32(24(21)30-22)17-6-8-18(33)9-7-17/h2-5,12,17-20,33H,6-11,13-14H2,1H3,(H2,26,28,34)/t17-,18-,19?,20?
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315079
PNG
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCC(CC2)N(C)C)cc1)N1C2CCC1COC2 |r|
Show InChI InChI=1S/C35H45N9O4/c1-23-20-47-19-18-43(23)33-38-31(39-34(40-33)44-29-12-13-30(44)22-48-21-29)24-4-8-26(9-5-24)36-35(46)37-27-10-6-25(7-11-27)32(45)42-16-14-28(15-17-42)41(2)3/h4-11,23,28-30H,12-22H2,1-3H3,(H2,36,37,46)/t23-,29?,30?/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306635
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1
Show InChI InChI=1S/C28H35N7O4/c1-2-29-27(36)31-19-5-3-18(4-6-19)24-32-25(34-16-21-7-8-22(17-34)39-21)23-15-30-35(26(23)33-24)20-9-11-28(12-10-20)37-13-14-38-28/h3-6,15,20-22H,2,7-14,16-17H2,1H3,(H2,29,31,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50306621
PNG
(CHEMBL600084 | tert-butyl 4-(4-(8-oxa-3-azabicyclo...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)35-13-11-20(12-14-35)37-26-23(15-31-37)25(36-16-21-9-10-22(17-36)40-21)33-24(34-26)18-5-7-19(8-6-18)32-27(38)30-4/h5-8,15,20-22H,9-14,16-17H2,1-4H3,(H2,30,32,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 1440-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.086
BindingDB Entry DOI: 10.7270/Q2S46S2T
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315055
PNG
(1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...)
Show SMILES OCCOc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)N2C3CCC2COC3)cc1
Show InChI InChI=1S/C30H35N7O5/c38-13-14-42-26-11-5-21(6-12-26)32-30(39)31-20-3-1-19(2-4-20)27-33-28(36-22-7-8-23(36)16-40-15-22)35-29(34-27)37-24-9-10-25(37)18-41-17-24/h1-6,11-12,22-25,38H,7-10,13-18H2,(H2,31,32,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50300080
PNG
((R)-ethyl 4-(4-(3-methylmorpholino)-6-(4-(3-pyridi...)
Show SMILES CCOC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C30H35N9O4/c1-3-43-30(41)37-14-10-24(11-15-37)39-28-25(18-32-39)27(38-16-17-42-19-20(38)2)35-26(36-28)21-4-6-22(7-5-21)33-29(40)34-23-8-12-31-13-9-23/h4-9,12-13,18,20,24H,3,10-11,14-17,19H2,1-2H3,(H2,31,33,34,40)/t20-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged human mTOR by DELFIA method


J Med Chem 52: 7942-5 (2009)


Article DOI: 10.1021/jm901415x
BindingDB Entry DOI: 10.7270/Q2WM1DGH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303289
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38|
Show InChI InChI=1S/C31H37N9O2/c1-3-40-30-27(18-32-40)29(39-19-25-12-13-26(20-39)42-25)35-28(36-30)21-4-6-22(7-5-21)33-31(41)34-23-8-10-24(11-9-23)38-16-14-37(2)15-17-38/h4-11,18,25-26H,3,12-17,19-20H2,1-2H3,(H2,33,34,41)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303288
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31|
Show InChI InChI=1S/C26H27N7O2/c1-2-33-25-22(14-27-33)24(32-15-20-12-13-21(16-32)35-20)30-23(31-25)17-8-10-19(11-9-17)29-26(34)28-18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15-16H2,1H3,(H2,28,29,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303287
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37|
Show InChI InChI=1S/C29H33N9O3/c1-2-38-28-24(16-31-38)27(37-17-22-8-9-23(18-37)41-22)34-26(35-28)19-3-5-20(6-4-19)32-29(39)33-21-7-10-25(30-15-21)36-11-13-40-14-12-36/h3-7,10,15-16,22-23H,2,8-9,11-14,17-18H2,1H3,(H2,32,33,39)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50303279
PNG
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)
Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37|
Show InChI InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA


Bioorg Med Chem Lett 19: 6830-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM35593
PNG
(pyrazolo pyrimidine, 25)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H31N9O4/c1-40-28(39)36-12-8-22(9-13-36)37-26-23(18-30-37)25(35-14-16-41-17-15-35)33-24(34-26)19-2-4-20(5-3-19)31-27(38)32-21-6-10-29-11-7-21/h2-7,10-11,18,22H,8-9,12-17H2,1H3,(H2,29,31,32,38)
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n/an/a 0.300n/an/an/an/a7.423



Wyeth Research



Assay Description
The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...


J Med Chem 52: 5013-6 (2009)


Article DOI: 10.1021/jm900851f
BindingDB Entry DOI: 10.7270/Q2SJ1HZD
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316258
PNG
(CHEMBL1098244 | methyl 4-(6-{4-[(anilinocarbonyl)a...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H32N8O4/c1-40-29(39)36-13-11-23(12-14-36)37-27-24(19-30-37)26(35-15-17-41-18-16-35)33-25(34-27)20-7-9-22(10-8-20)32-28(38)31-21-5-3-2-4-6-21/h2-10,19,23H,11-18H2,1H3,(H2,31,32,38)
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n/an/a 0.300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316257
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES OCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O3/c39-17-12-31-30(40)33-24-8-6-23(7-9-24)27-34-28(37-15-18-41-19-16-37)26-20-32-38(29(26)35-27)25-10-13-36(14-11-25)21-22-4-2-1-3-5-22/h1-9,20,25,39H,10-19,21H2,(H2,31,33,40)
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PC cid
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n/an/a 0.300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair
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