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Compile Data Set for Download or QSAR

Found 163 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP5'   
Target
(Institution)
LigandTarget
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 FKBP5


(Homo sapiens)
BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125333
PNG
(CHEMBL3623612)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/s2
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4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125333
PNG
(CHEMBL3623612)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/s2
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4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125330
PNG
(CHEMBL3623630)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/s2
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6n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125330
PNG
(CHEMBL3623630)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/s2
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6n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162500
PNG
(CHEMBL3792975)
Show SMILES COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C42H54N2O10/c1-49-34-20-18-27(22-35(34)50-2)17-19-32(29-14-11-15-31(23-29)54-26-38(45)46)43-41(47)33-16-9-10-21-44(33)42(48)39(28-12-7-6-8-13-28)30-24-36(51-3)40(53-5)37(25-30)52-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,43,47)(H,45,46)/t32-,33+,39+/s2
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43n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50030448
PNG
(8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...)
Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
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79n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432752
PNG
(FK-506)
Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C\[C@H](C)[C@@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Show InChI InChI=1S/C45H71NO12/c1-10-13-32-21-26(2)20-27(3)22-38(55-8)41-39(56-9)23-29(5)45(53,58-41)42(50)43(51)46-19-12-11-14-33(46)44(52)57-40(30(6)35(48)25-36(32)49)28(4)15-16-31-17-18-34(47)37(24-31)54-7/h10,15-16,21,27-35,37-41,47-48,53H,1,11-14,17-20,22-25H2,2-9H3/b16-15+,26-21+/t27-,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,40-,41+,45+/m0/s1
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80n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125332
PNG
(CHEMBL3623613)
Show SMILES COc1cc(OC)cc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C41H51NO10/c1-47-32-23-30(24-33(25-32)48-2)39(28-11-6-5-7-12-28)40(45)42-20-9-8-15-34(42)41(46)52-35(29-13-10-14-31(22-29)51-26-38(43)44)18-16-27-17-19-36(49-3)37(21-27)50-4/h10,13-14,17,19,21-25,28,34-35,39H,5-9,11-12,15-16,18,20,26H2,1-4H3,(H,43,44)/t34-,35+,39-/s2
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110n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162684
PNG
(CHEMBL3793603)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O
Show InChI InChI=1/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/s2
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140n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125331
PNG
(CHEMBL3623614)
Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/s2
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160n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50388298
PNG
(CHEMBL2058794)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C35H42Cl2N2O9S/c1-44-32-12-10-24(20-33(32)45-2)9-11-31(25-6-5-7-26(21-25)47-19-16-38-14-17-46-18-15-38)48-35(41)30-8-3-4-13-39(30)49(42,43)27-22-28(36)34(40)29(37)23-27/h5-7,10,12,20-23,30-31,40H,3-4,8-9,11,13-19H2,1-2H3/t30-,31+/m0/s1
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200n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432732
PNG
(CHEMBL2348594)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC
Show InChI InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30)
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300n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125329
PNG
(CHEMBL3623615)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/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+/s2
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600n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125257
PNG
(CHEMBL3623623)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@@H](C)O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/s2
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700n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162701
PNG
(CHEMBL3794209)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(=O)NCC(N)=O
Show InChI InChI=1/C31H46N4O7/c1-40-23-17-21(18-24(41-2)27(23)42-3)26(20-11-5-4-6-12-20)29(38)35-16-10-7-13-22(35)28(37)34-31(14-8-9-15-31)30(39)33-19-25(32)36/h17-18,20,22,26H,4-16,19H2,1-3H3,(H2,32,36)(H,33,39)(H,34,37)/t22-,26-/s2
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800n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432740
PNG
(CHEMBL2348599)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OC
Show InChI InChI=1S/C24H28Cl2N2O7S/c1-33-21-7-6-16(12-22(21)34-2)35-11-10-27-9-8-15-4-3-5-20(24(27)30)28(15)36(31,32)17-13-18(25)23(29)19(26)14-17/h6-7,12-15,20,29H,3-5,8-11H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125338
PNG
(CHEMBL3623625)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)\C=C\C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C41H58N2O8/c1-4-11-35(44)39(31-12-6-5-7-13-31)40(45)43-21-9-8-16-34(43)41(46)51-36(19-17-30-18-20-37(47-2)38(28-30)48-3)32-14-10-15-33(29-32)50-27-24-42-22-25-49-26-23-42/h4,10-11,14-15,18,20,28-29,31,34-36,39,44H,5-9,12-13,16-17,19,21-27H2,1-3H3/b11-4+/t34-,35+,36+,39-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125327
PNG
(CHEMBL3623617)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C34H45NO8/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/h9,12-13,16,18,20-21,23,25,28-29H,4-8,10-11,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432748
PNG
(CHEMBL2348587)
Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC
Show InChI InChI=1S/C23H26Cl2N2O6S/c1-31-21-7-6-18(13-22(21)32-2)33-9-8-26-14-17-4-3-5-20(23(26)28)27(17)34(29,30)19-11-15(24)10-16(25)12-19/h6-7,10-13,17,20H,3-5,8-9,14H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162670
PNG
(CHEMBL3794574)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C32H43N3O6/c1-39-26-19-23(20-27(40-2)29(26)41-3)28(22-14-8-5-9-15-22)32(38)35-17-11-10-16-25(35)31(37)34-24(30(33)36)18-21-12-6-4-7-13-21/h4,6-7,12-13,19-20,22,24-25,28H,5,8-11,14-18H2,1-3H3,(H2,33,36)(H,34,37)/t24-,25+,28+/s2
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1.40E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162668
PNG
(CHEMBL3793810)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1
Show InChI InChI=1/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27+/s2
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1.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162699
PNG
(CHEMBL3794186)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O
Show InChI InChI=1/C29H43N3O7/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-9-5-4-6-10-19)27(34)32-14-8-7-11-21(32)26(33)31-29(28(30)35)12-15-39-16-13-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/s2
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1.80E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162685
PNG
(CHEMBL3792510)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O
Show InChI InChI=1/C30H45N3O6/c1-37-23-18-21(19-24(38-2)26(23)39-3)25(20-12-6-4-7-13-20)28(35)33-17-11-8-14-22(33)27(34)32-30(29(31)36)15-9-5-10-16-30/h18-20,22,25H,4-17H2,1-3H3,(H2,31,36)(H,32,34)/t22-,25-/s2
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1.90E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125261
PNG
(CHEMBL3623622)
Show SMILES COCO[C@H](C)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C41H60N2O9/c1-30(51-29-46-2)39(32-11-6-5-7-12-32)40(44)43-20-9-8-15-35(43)41(45)52-36(18-16-31-17-19-37(47-3)38(27-31)48-4)33-13-10-14-34(28-33)50-26-23-42-21-24-49-25-22-42/h10,13-14,17,19,27-28,30,32,35-36,39H,5-9,11-12,15-16,18,20-26,29H2,1-4H3/t30-,35+,36-,39-/s2
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2.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125324
PNG
(CHEMBL3623620)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CO)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C38H54N2O8/c1-44-35-17-15-28(25-36(35)45-2)14-16-34(30-11-8-12-31(26-30)47-24-21-39-19-22-46-23-20-39)48-38(43)33-13-6-7-18-40(33)37(42)32(27-41)29-9-4-3-5-10-29/h8,11-12,15,17,25-26,29,32-34,41H,3-7,9-10,13-14,16,18-24,27H2,1-2H3/t32-,33+,34-/s2
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2.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50432745
PNG
(CHEMBL2348591)
Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC
Show InChI InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3
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2.10E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125323
PNG
(CHEMBL3623621)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C40H56N2O9/c1-29(43)50-28-34(31-10-5-4-6-11-31)39(44)42-19-8-7-14-35(42)40(45)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)49-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28H2,1-3H3/t34-,35+,36-/s2
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2.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162659
PNG
(CHEMBL3793853)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C(N)=O
Show InChI InChI=1/C27H41N3O6/c1-27(2,26(28)33)29-24(31)19-13-9-10-14-30(19)25(32)22(17-11-7-6-8-12-17)18-15-20(34-3)23(36-5)21(16-18)35-4/h15-17,19,22H,6-14H2,1-5H3,(H2,28,33)(H,29,31)/t19-,22-/s2
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2.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125363
PNG
(CHEMBL3623624)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)C(C)=O)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C39H54N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-27,30,33-34,37H,4-8,10-11,14-15,17,19-25H2,1-3H3/t33-,34+,37+/s2
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2.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50132556
PNG
((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Max Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162675
PNG
(CHEMBL3792788)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C(N)=O
Show InChI InChI=1/C26H39N3O7/c1-34-20-13-17(14-21(35-2)23(20)36-3)22(16-9-5-4-6-10-16)26(33)29-12-8-7-11-19(29)25(32)28-18(15-30)24(27)31/h13-14,16,18-19,22,30H,4-12,15H2,1-3H3,(H2,27,31)(H,28,32)/t18-,19+,22+/s2
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2.80E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162667
PNG
(CHEMBL3793643)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1/C31H41N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h5,8-9,14-15,18-20,23,26-27H,4,6-7,10-13,16-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27-/s2
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3.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162665
PNG
(CHEMBL3793981)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1/C29H45N3O6/c1-6-18(2)25(27(30)33)31-28(34)21-14-10-11-15-32(21)29(35)24(19-12-8-7-9-13-19)20-16-22(36-3)26(38-5)23(17-20)37-4/h16-19,21,24-25H,6-15H2,1-5H3,(H2,30,33)(H,31,34)/t18-,21+,24+,25-/s2
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3.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162679
PNG
(CHEMBL3794273)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC(N)=O)C(N)=O
Show InChI InChI=1/C28H42N4O7/c1-37-21-15-18(16-22(38-2)25(21)39-3)24(17-9-5-4-6-10-17)28(36)32-14-8-7-11-20(32)27(35)31-19(26(30)34)12-13-23(29)33/h15-17,19-20,24H,4-14H2,1-3H3,(H2,29,33)(H2,30,34)(H,31,35)/t19-,20+,24+/s2
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3.40E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125328
PNG
(CHEMBL3623616)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/s2
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3.40E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162657
PNG
(CHEMBL3794102)
Show SMILES CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1/C27H41N3O6/c1-5-19(25(28)31)29-26(32)20-13-9-10-14-30(20)27(33)23(17-11-7-6-8-12-17)18-15-21(34-2)24(36-4)22(16-18)35-3/h15-17,19-20,23H,5-14H2,1-4H3,(H2,28,31)(H,29,32)/t19-,20-,23-/s2
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3.60E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162660
PNG
(CHEMBL3794103)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)CC(N)=O
Show InChI InChI=1/C28H43N3O6/c1-28(2,17-23(29)32)30-26(33)20-13-9-10-14-31(20)27(34)24(18-11-7-6-8-12-18)19-15-21(35-3)25(37-5)22(16-19)36-4/h15-16,18,20,24H,6-14,17H2,1-5H3,(H2,29,32)(H,30,33)/t20-,24-/s2
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3.80E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162681
PNG
(CHEMBL3793942)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1/C29H41N5O6/c1-38-23-13-19(14-24(39-2)26(23)40-3)25(18-9-5-4-6-10-18)29(37)34-12-8-7-11-22(34)28(36)33-21(27(30)35)15-20-16-31-17-32-20/h13-14,16-18,21-22,25H,4-12,15H2,1-3H3,(H2,30,35)(H,31,32)(H,33,36)/t21-,22+,25+/s2
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3.80E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162654
PNG
(CHEMBL3793309)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCCC(N)=O
Show InChI InChI=1/C28H43N3O6/c1-35-22-17-20(18-23(36-2)26(22)37-3)25(19-11-5-4-6-12-19)28(34)31-16-10-8-13-21(31)27(33)30-15-9-7-14-24(29)32/h17-19,21,25H,4-16H2,1-3H3,(H2,29,32)(H,30,33)/t21-,25-/s2
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3.90E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125325
PNG
(CHEMBL3623619)
Show SMILES COCOC[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1/C40H58N2O9/c1-45-29-49-28-34(31-10-5-4-6-11-31)39(43)42-19-8-7-14-35(42)40(44)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)50-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28-29H2,1-3H3/t34-,35+,36-/s2
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4.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162677
PNG
(CHEMBL3793595)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCO)C(N)=O
Show InChI InChI=1/C27H41N3O7/c1-35-21-15-18(16-22(36-2)24(21)37-3)23(17-9-5-4-6-10-17)27(34)30-13-8-7-11-20(30)26(33)29-19(12-14-31)25(28)32/h15-17,19-20,23,31H,4-14H2,1-3H3,(H2,28,32)(H,29,33)/t19-,20+,23+/s2
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4.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50125326
PNG
(CHEMBL3623618)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C33H43NO8/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/h8,11-12,15,17,19,21,23,27-28H,3-7,9-10,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/s2
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4.20E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162666
PNG
(CHEMBL3793962)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(N)=O
Show InChI InChI=1/C31H47N3O6/c1-38-24-18-22(19-25(39-2)28(24)40-3)26(20-12-6-4-7-13-20)31(37)34-17-11-10-16-23(34)30(36)33-27(29(32)35)21-14-8-5-9-15-21/h18-21,23,26-27H,4-17H2,1-3H3,(H2,32,35)(H,33,36)/t23-,26-,27-/s2
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4.30E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162658
PNG
(CHEMBL3794221)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1/C27H41N3O6/c1-5-19(25(28)31)29-26(32)20-13-9-10-14-30(20)27(33)23(17-11-7-6-8-12-17)18-15-21(34-2)24(36-4)22(16-18)35-3/h15-17,19-20,23H,5-14H2,1-4H3,(H2,28,31)(H,29,32)/t19-,20+,23+/s2
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4.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162683
PNG
(CHEMBL3792567)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O
Show InChI InChI=1/C28H41N3O6/c1-35-21-16-19(17-22(36-2)24(21)37-3)23(18-10-5-4-6-11-18)26(33)31-15-8-7-12-20(31)25(32)30-28(27(29)34)13-9-14-28/h16-18,20,23H,4-15H2,1-3H3,(H2,29,34)(H,30,32)/t20-,23-/s2
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4.90E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162662
PNG
(CHEMBL3793635)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C(C)C)C(N)=O
Show InChI InChI=1/C28H43N3O6/c1-17(2)24(26(29)32)30-27(33)20-13-9-10-14-31(20)28(34)23(18-11-7-6-8-12-18)19-15-21(35-3)25(37-5)22(16-19)36-4/h15-18,20,23-24H,6-14H2,1-5H3,(H2,29,32)(H,30,33)/t20-,23-,24+/s2
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5.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162623
PNG
(CHEMBL3794343)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCC(N)=O
Show InChI InChI=1/C27H41N3O6/c1-34-21-16-19(17-22(35-2)25(21)36-3)24(18-10-5-4-6-11-18)27(33)30-15-8-7-12-20(30)26(32)29-14-9-13-23(28)31/h16-18,20,24H,4-15H2,1-3H3,(H2,28,31)(H,29,32)/t20-,24-/s2
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5.70E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162669
PNG
(CHEMBL3793218)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1/C32H43N3O6/c1-39-26-19-23(20-27(40-2)29(26)41-3)28(22-14-8-5-9-15-22)32(38)35-17-11-10-16-25(35)31(37)34-24(30(33)36)18-21-12-6-4-7-13-21/h4,6-7,12-13,19-20,22,24-25,28H,5,8-11,14-18H2,1-3H3,(H2,33,36)(H,34,37)/t24-,25-,28-/s2
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6.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens)
BDBM50162664
PNG
(CHEMBL3792416)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1/C29H45N3O6/c1-6-18(2)25(27(30)33)31-28(34)21-14-10-11-15-32(21)29(35)24(19-12-8-7-9-13-19)20-16-22(36-3)26(38-5)23(17-20)37-4/h16-19,21,24-25H,6-15H2,1-5H3,(H2,30,33)(H,31,34)/t18-,21-,24-,25-/s2
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7.10E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...


J Med Chem 59: 2410-22 (2016)

More data for this
Ligand-Target Pair
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