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Compile Data Set for Download or QSAR

Found 20 hits from ARIAD Gene Therapeutics   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086083
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-pent-4-enoyl]-piper...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC=C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H47NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h7,10,12-13,16,18,20-23,29-31H,1,8-9,11,14-15,17,19,24H2,2-6H3,(H,41,42)/t29-,30-,31?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086090
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-butyryl]-piperidine...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086094
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-pentanoyl]-piperidi...)
Show SMILES CCC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C39H49NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h10,12-13,16,18,20-23,29-31H,7-9,11,14-15,17,19,24H2,1-6H3,(H,41,42)/t29-,30-,31?/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086077
PNG
(1-[3-Cyclopropyl-2-(3,4,5-trimethoxy-phenyl)-propi...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C40H49NO11/c1-46-33-17-15-26(20-34(33)47-2)14-16-32(27-9-8-10-29(21-27)51-24-37(42)43)52-40(45)31-11-6-7-18-41(31)39(44)30(19-25-12-13-25)28-22-35(48-3)38(50-5)36(23-28)49-4/h8-10,15,17,20-23,25,30-32H,6-7,11-14,16,18-19,24H2,1-5H3,(H,42,43)/t30-,31-,32?/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086092
PNG
(1-[3-Methyl-2-(3,4,5-trimethoxy-phenyl)-butyryl]-p...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H49NO11/c1-24(2)36(27-21-33(47-5)37(49-7)34(22-27)48-6)38(43)40-18-9-8-13-29(40)39(44)51-30(26-11-10-12-28(20-26)50-23-35(41)42)16-14-25-15-17-31(45-3)32(19-25)46-4/h10-12,15,17,19-22,24,29-30,36H,8-9,13-14,16,18,23H2,1-7H3,(H,41,42)/t29-,30?,36-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086078
PNG
(1-(2-Cyclohexyl-2-phenyl-acetyl)-piperidine-2-carb...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H47NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3,5-6,11-13,16-17,20,22,24-25,29,32-33,37H,4,7-10,14-15,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33?,37-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086087
PNG
(1-(3-Methyl-2-phenyl-butyryl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C(C)C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C36H43NO8/c1-24(2)34(26-11-6-5-7-12-26)35(40)37-20-9-8-15-29(37)36(41)45-30(27-13-10-14-28(22-27)44-23-33(38)39)18-16-25-17-19-31(42-3)32(21-25)43-4/h5-7,10-14,17,19,21-22,24,29-30,34H,8-9,15-16,18,20,23H2,1-4H3,(H,38,39)/t29-,30?,34+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086082
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-pent-4-enoyl]-piper...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H47NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h7,10,12-13,16,18,20-23,29-31H,1,8-9,11,14-15,17,19,24H2,2-6H3,(H,41,42)/t29-,30+,31?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086085
PNG
(1-(2-Phenyl-butyryl)-piperidine-2-carboxylic acid ...)
Show SMILES CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28?,29-,30?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086075
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-pentanoyl]-piperidi...)
Show SMILES CCC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C39H49NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h10,12-13,16,18,20-23,29-31H,7-9,11,14-15,17,19,24H2,1-6H3,(H,41,42)/t29-,30+,31?/m1/s1
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n/an/a 43n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086086
PNG
(1-[3-Methyl-2-(3,4,5-trimethoxy-phenyl)-butyryl]-p...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C(C)C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H49NO11/c1-24(2)36(27-21-33(47-5)37(49-7)34(22-27)48-6)38(43)40-18-9-8-13-29(40)39(44)51-30(26-11-10-12-28(20-26)50-23-35(41)42)16-14-25-15-17-31(45-3)32(19-25)46-4/h10-12,15,17,19-22,24,29-30,36H,8-9,13-14,16,18,23H2,1-7H3,(H,41,42)/t29-,30?,36+/m0/s1
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ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086079
PNG
(1-(2-Cyclohexyl-2-phenyl-acetyl)-piperidine-2-carb...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H47NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3,5-6,11-13,16-17,20,22,24-25,29,32-33,37H,4,7-10,14-15,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33?,37+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086080
PNG
(1-(2-Phenyl-propionyl)-piperidine-2-carboxylic aci...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H39NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h4-6,9-13,16,18,20-21,23,28-29H,7-8,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28-,29?/m0/s1
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n/an/a 94n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086089
PNG
(1-[3-Cyclopropyl-2-(3,4,5-trimethoxy-phenyl)-propi...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C40H49NO11/c1-46-33-17-15-26(20-34(33)47-2)14-16-32(27-9-8-10-29(21-27)51-24-37(42)43)52-40(45)31-11-6-7-18-41(31)39(44)30(19-25-12-13-25)28-22-35(48-3)38(50-5)36(23-28)49-4/h8-10,15,17,20-23,25,30-32H,6-7,11-14,16,18-19,24H2,1-5H3,(H,42,43)/t30-,31+,32?/m1/s1
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n/an/a 126n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086084
PNG
(1-(2-Phenyl-butyryl)-piperidine-2-carboxylic acid ...)
Show SMILES CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1ccccc1
Show InChI InChI=1S/C35H41NO8/c1-4-28(25-11-6-5-7-12-25)34(39)36-20-9-8-15-29(36)35(40)44-30(26-13-10-14-27(22-26)43-23-33(37)38)18-16-24-17-19-31(41-2)32(21-24)42-3/h5-7,10-14,17,19,21-22,28-30H,4,8-9,15-16,18,20,23H2,1-3H3,(H,37,38)/t28-,29+,30?/m1/s1
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n/an/a 133n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086081
PNG
(1-(3-Methyl-2-phenyl-butyryl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C36H43NO8/c1-24(2)34(26-11-6-5-7-12-26)35(40)37-20-9-8-15-29(37)36(41)45-30(27-13-10-14-28(22-27)44-23-33(38)39)18-16-25-17-19-31(42-3)32(21-25)43-4/h5-7,10-14,17,19,21-22,24,29-30,34H,8-9,15-16,18,20,23H2,1-4H3,(H,38,39)/t29-,30?,34-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086093
PNG
(1-[2-(3,4,5-Trimethoxy-phenyl)-butyryl]-piperidine...)
Show SMILES CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29+,30?/m1/s1
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n/an/a 187n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086076
PNG
(1-Diphenylacetyl-piperidine-2-carboxylic acid 1-(3...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)C(c2ccccc2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C39H41NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,11-17,20,22,24-25,32-33,37H,9-10,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33?/m0/s1
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n/an/a 273n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50086091
PNG
(1-(2-Phenyl-propionyl)-piperidine-2-carboxylic aci...)
Show SMILES COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H39NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h4-6,9-13,16,18,20-21,23,28-29H,7-8,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29?/m1/s1
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n/an/a 590n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM50132547
PNG
(1-Phenylacetyl-piperidine-2-carboxylic acid 1-(3-c...)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)Cc2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H37NO8/c1-39-29-17-15-24(19-30(29)40-2)14-16-28(25-11-8-12-26(21-25)41-22-32(36)37)42-33(38)27-13-6-7-18-34(27)31(35)20-23-9-4-3-5-10-23/h3-5,8-12,15,17,19,21,27-28H,6-7,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



ARIAD Gene Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.


J Med Chem 43: 1135-42 (2000)


Article DOI: 10.1021/jm9904396
BindingDB Entry DOI: 10.7270/Q2057F45
More data for this
Ligand-Target Pair