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Compile Data Set for Download or QSAR

Found 466 hits with Last Name = 'zhang' and Initial = 'wg'   
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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193709
PNG
(CHEMBL3911017)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193663
PNG
(CHEMBL3929944)
Show SMILES Cc1noc(C)c1-c1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(62.09,-40.24,;61.77,-41.75,;62.8,-42.89,;62.03,-44.22,;60.52,-43.9,;59.38,-44.93,;60.36,-42.37,;59.02,-41.6,;57.69,-42.37,;56.37,-41.6,;56.38,-40.08,;55.05,-39.32,;55.05,-37.78,;56.38,-37,;56.38,-35.46,;55.04,-34.69,;55.05,-33.15,;56.38,-32.38,;53.72,-32.38,;52.38,-33.14,;51.05,-32.37,;52.38,-34.68,;53.71,-35.46,;53.71,-37,;57.7,-37.78,;59.04,-37.01,;57.7,-39.32,;59.02,-40.08,;60.35,-39.31,)|
Show InChI InChI=1S/C22H22ClN3O3/c1-11-9-12(2)24-21(27)17(11)10-26-8-7-15-5-6-16(20(23)19(15)22(26)28)18-13(3)25-29-14(18)4/h5-6,9H,7-8,10H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50326469
PNG
(3,4'-Dihydroxy-3',5'-dimethoxybiphenyl-4-carboxyli...)
Show SMILES COc1cc(cc(OC)c1O)-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C15H14O6/c1-20-12-6-9(7-13(21-2)14(12)17)8-3-4-10(15(18)19)11(16)5-8/h3-7,16-17H,1-2H3,(H,18,19)
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1.50E+4n/an/an/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 30 mins by Lineweaver-Burk double reciprocal plot analysis


Bioorg Med Chem 18: 6708-14 (2010)


Article DOI: 10.1016/j.bmc.2010.07.062
BindingDB Entry DOI: 10.7270/Q2JS9QN4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50326455
PNG
(CHEMBL1243344 | N-Butyl-4'-hydroxy-3',5'-dimethoxy...)
Show SMILES CCCCNC(=O)c1ccc(cc1)-c1cc(OC)c(O)c(OC)c1
Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-19(22)14-8-6-13(7-9-14)15-11-16(23-2)18(21)17(12-15)24-3/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,20,22)
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3.10E+4n/an/an/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 30 mins by Lineweaver-Burk double reciprocal plot analysis


Bioorg Med Chem 18: 6708-14 (2010)


Article DOI: 10.1016/j.bmc.2010.07.062
BindingDB Entry DOI: 10.7270/Q2JS9QN4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50326456
PNG
(4'-Hydroxy-3',5'-dimethoxybiphenyl-4-carboxylic ac...)
Show SMILES COc1cc(cc(OC)c1O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H14O5/c1-19-12-7-11(8-13(20-2)14(12)16)9-3-5-10(6-4-9)15(17)18/h3-8,16H,1-2H3,(H,17,18)
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3.80E+4n/an/an/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 30 mins by Lineweaver-Burk double reciprocal plot analysis


Bioorg Med Chem 18: 6708-14 (2010)


Article DOI: 10.1016/j.bmc.2010.07.062
BindingDB Entry DOI: 10.7270/Q2JS9QN4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50326467
PNG
(CHEMBL1243315 | N-Benzyl-3,4'-dihydroxy-3',5'-dime...)
Show SMILES COc1cc(cc(OC)c1O)-c1ccc(C(=O)NCc2ccccc2)c(O)c1
Show InChI InChI=1S/C22H21NO5/c1-27-19-11-16(12-20(28-2)21(19)25)15-8-9-17(18(24)10-15)22(26)23-13-14-6-4-3-5-7-14/h3-12,24-25H,13H2,1-2H3,(H,23,26)
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6.00E+4n/an/an/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 30 mins by Lineweaver-Burk double reciprocal plot analysis


Bioorg Med Chem 18: 6708-14 (2010)


Article DOI: 10.1016/j.bmc.2010.07.062
BindingDB Entry DOI: 10.7270/Q2JS9QN4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394184
PNG
(CHEMBL2158860)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C24H23N7O3S/c1-15-3-6-19(14-22(15)35(25,33)34)29-23-28-12-10-20(31-23)17-9-11-27-21(13-17)16-4-7-18(8-5-16)30-24(32)26-2/h3-14H,1-2H3,(H2,25,33,34)(H2,26,30,32)(H,28,29,31)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394176
PNG
(CHEMBL2158861)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C26H27N7O3S/c1-17-5-8-21(16-24(17)37(35,36)33(3)4)30-25-29-14-12-22(32-25)19-11-13-28-23(15-19)18-6-9-20(10-7-18)31-26(34)27-2/h5-16H,1-4H3,(H2,27,31,34)(H,29,30,32)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394177
PNG
(CHEMBL2158862)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C25H25N7O3S/c1-16-4-7-20(15-23(16)36(34,35)27-3)30-24-29-13-11-21(32-24)18-10-12-28-22(14-18)17-5-8-19(9-6-17)31-25(33)26-2/h4-15,27H,1-3H3,(H2,26,31,33)(H,29,30,32)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394185
PNG
(CHEMBL2158864)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394179
PNG
(CHEMBL2158865)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
Show InChI InChI=1S/C25H24ClN7O3S/c1-27-25(34)31-18-6-4-16(5-7-18)22-14-17(10-12-28-22)21-11-13-29-24(32-21)30-19-8-9-20(26)23(15-19)37(35,36)33(2)3/h4-15H,1-3H3,(H2,27,31,34)(H,29,30,32)
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n/an/a<0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394175
PNG
(CHEMBL2158858)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C23H21N7O3S/c1-25-23(31)29-17-7-5-15(6-8-17)21-13-16(9-11-26-21)20-10-12-27-22(30-20)28-18-3-2-4-19(14-18)34(24,32)33/h2-14H,1H3,(H2,24,32,33)(H2,25,29,31)(H,27,28,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
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
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394166
PNG
(CHEMBL2158859)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C24H23N7O3S/c1-25-24(32)30-18-8-6-16(7-9-18)22-14-17(10-12-27-22)21-11-13-28-23(31-21)29-19-4-3-5-20(15-19)35(33,34)26-2/h3-15,26H,1-2H3,(H2,25,30,32)(H,28,29,31)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
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
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394165
PNG
(CHEMBL2158866)
Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1Cl
Show InChI InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
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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n/an/a 0.200n/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
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394174
PNG
(CHEMBL2158863)
Show SMILES CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C
Show InChI InChI=1S/C28H31N7O3S/c1-5-35(6-2)39(37,38)26-18-23(10-7-19(26)3)32-27-31-16-14-24(34-27)21-13-15-30-25(17-21)20-8-11-22(12-9-20)33-28(36)29-4/h7-18H,5-6H2,1-4H3,(H2,29,33,36)(H,31,32,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SMG1


(Homo sapiens (Human))
BDBM50394164
PNG
(CHEMBL2158011)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1
Show InChI InChI=1S/C27H29N7O3S/c1-4-34(5-2)38(36,37)23-8-6-7-22(18-23)31-26-30-16-14-24(33-26)20-13-15-29-25(17-20)19-9-11-21(12-10-19)32-27(35)28-3/h6-18H,4-5H2,1-3H3,(H2,28,32,35)(H,30,31,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay


Bioorg Med Chem Lett 22: 6636-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.107
BindingDB Entry DOI: 10.7270/Q2TB181N
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))
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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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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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))
BDBM35594
PNG
(pyrazolo pyrimidine, 27)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
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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))
BDBM50316256
PNG
(CHEMBL1094981 | isopropyl 4-[6-(4-{[(2-fluoroethyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C27H35FN8O4/c1-18(2)40-27(38)35-11-7-21(8-12-35)36-25-22(17-30-36)24(34-13-15-39-16-14-34)32-23(33-25)19-3-5-20(6-4-19)31-26(37)29-10-9-28/h3-6,17-18,21H,7-16H2,1-2H3,(H2,29,31,37)
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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))
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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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))
BDBM35589
PNG
(pyrazolo pyrimidine, 21)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C25H32N8O4/c1-3-26-24(34)28-18-6-4-17(5-7-18)21-29-22(31-12-14-37-15-13-31)20-16-27-33(23(20)30-21)19-8-10-32(11-9-19)25(35)36-2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,26,28,34)
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n/an/a 0.320n/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))
BDBM35594
PNG
(pyrazolo pyrimidine, 27)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C34H42N10O4/c1-40-15-17-41(18-16-40)27-9-7-26(8-10-27)37-33(45)36-25-5-3-24(4-6-25)30-38-31(42-19-21-48-22-20-42)29-23-35-44(32(29)39-30)28-11-13-43(14-12-28)34(46)47-2/h3-10,23,28H,11-22H2,1-2H3,(H2,36,37,45)
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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))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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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))
BDBM50316253
PNG
(CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C25H33N7O3/c1-25(2,3)35-24(33)31-10-8-19(9-11-31)32-23-20(16-27-32)22(30-12-14-34-15-13-30)28-21(29-23)17-4-6-18(26)7-5-17/h4-7,16,19H,8-15,26H2,1-3H3
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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))
BDBM35578
PNG
(pyrazolo pyrimidine, 10)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Show InChI InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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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))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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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))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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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))
BDBM35585
PNG
(pyrazolo pyrimidine, 18)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
Show InChI InChI=1S/C24H30N8O4/c1-25-23(33)27-17-5-3-16(4-6-17)20-28-21(30-11-13-36-14-12-30)19-15-26-32(22(19)29-20)18-7-9-31(10-8-18)24(34)35-2/h3-6,15,18H,7-14H2,1-2H3,(H2,25,27,33)
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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))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
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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))
BDBM50316260
PNG
(CHEMBL1098242 | tert-butyl 4-[6-(4-{[(2-fluoroethy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C28H37FN8O4/c1-28(2,3)41-27(39)36-12-8-21(9-13-36)37-25-22(18-31-37)24(35-14-16-40-17-15-35)33-23(34-25)19-4-6-20(7-5-19)32-26(38)30-11-10-29/h4-7,18,21H,8-17H2,1-3H3,(H2,30,32,38)
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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))
BDBM35591
PNG
(pyrazolo pyrimidine, 23)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C26H32N8O4/c1-37-26(36)33-10-8-20(9-11-33)34-24-21(16-27-34)23(32-12-14-38-15-13-32)30-22(31-24)17-2-4-18(5-3-17)28-25(35)29-19-6-7-19/h2-5,16,19-20H,6-15H2,1H3,(H2,28,29,35)
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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))
BDBM50316259
PNG
(CHEMBL1097942 | isopropyl 4-(6-{4-[(cyclopropylcar...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C28H36N8O4/c1-18(2)40-28(38)35-11-9-22(10-12-35)36-26-23(17-29-36)25(34-13-15-39-16-14-34)32-24(33-26)19-3-5-20(6-4-19)30-27(37)31-21-7-8-21/h3-6,17-18,21-22H,7-16H2,1-2H3,(H2,30,31,37)
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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))
BDBM35580
PNG
(pyrazolo pyrimidine, 13)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C29H34N8O2/c1-30-29(38)32-23-9-7-22(8-10-23)26-33-27(36-15-17-39-18-16-36)25-19-31-37(28(25)34-26)24-11-13-35(14-12-24)20-21-5-3-2-4-6-21/h2-10,19,24H,11-18,20H2,1H3,(H2,30,32,38)
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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))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(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))
BDBM50316262
PNG
(CHEMBL1098243 | tert-butyl 4-(6-{4-[(cyclopropylca...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
Show InChI InChI=1S/C29H38N8O4/c1-29(2,3)41-28(39)36-12-10-22(11-13-36)37-26-23(18-30-37)25(35-14-16-40-17-15-35)33-24(34-26)19-4-6-20(7-5-19)31-27(38)32-21-8-9-21/h4-7,18,21-22H,8-17H2,1-3H3,(H2,31,32,38)
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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))
BDBM50316261
PNG
(CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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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))
BDBM35590
PNG
(pyrazolo pyrimidine, 22)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31FN8O4/c1-37-25(36)33-10-6-19(7-11-33)34-23-20(16-28-34)22(32-12-14-38-15-13-32)30-21(31-23)17-2-4-18(5-3-17)29-24(35)27-9-8-26/h2-5,16,19H,6-15H2,1H3,(H2,27,29,35)
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n/an/a 0.610n/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))
BDBM50316263
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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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))
BDBM50316265
PNG
(4-(4-morpholino-6-(4-(3-(4-(2-(pyrrolidin-1-yl)eth...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O4/c1-47-35(46)43-18-13-29(14-19-43)44-33-30(24-36-44)32(42-20-22-48-23-21-42)39-31(40-33)26-6-10-28(11-7-26)38-34(45)37-27-8-4-25(5-9-27)12-17-41-15-2-3-16-41/h4-11,24,29H,2-3,12-23H2,1H3,(H2,37,38,45)
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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))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
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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))
BDBM50316281
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C30H36N8O2/c1-2-31-30(39)33-24-10-8-23(9-11-24)27-34-28(37-16-18-40-19-17-37)26-20-32-38(29(26)35-27)25-12-14-36(15-13-25)21-22-6-4-3-5-7-22/h3-11,20,25H,2,12-19,21H2,1H3,(H2,31,33,39)
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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))
BDBM50316266
PNG
(CHEMBL1098247 | methyl 4-(6-(4-(3-(4-(2-(4-methylp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCN(C)CC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C36H46N10O4/c1-42-17-19-43(20-18-42)14-11-26-3-7-28(8-4-26)38-35(47)39-29-9-5-27(6-10-29)32-40-33(44-21-23-50-24-22-44)31-25-37-46(34(31)41-32)30-12-15-45(16-13-30)36(48)49-2/h3-10,25,30H,11-24H2,1-2H3,(H2,38,39,47)
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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))
BDBM50316267
PNG
(1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1)Nc1cccnc1
Show InChI InChI=1S/C33H35N9O2/c43-33(37-27-7-4-14-34-21-27)36-26-10-8-25(9-11-26)30-38-31(41-17-19-44-20-18-41)29-22-35-42(32(29)39-30)28-12-15-40(16-13-28)23-24-5-2-1-3-6-24/h1-11,14,21-22,28H,12-13,15-20,23H2,(H2,36,37,43)
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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))
BDBM35586
PNG
(pyrazolo pyrimidine, 26)
Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
Show InChI InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44)
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n/an/a 0.830n/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))
BDBM35588
PNG
(pyrazolo pyrimidine, 20)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)OCCO)cc1)N1CCOCC1
Show InChI InChI=1S/C25H31N7O6/c1-36-25(35)31-8-6-19(7-9-31)32-23-20(16-26-32)22(30-10-13-37-14-11-30)28-21(29-23)17-2-4-18(5-3-17)27-24(34)38-15-12-33/h2-5,16,19,33H,6-15H2,1H3,(H,27,34)
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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
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