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Found 121 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)
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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n/an/a 456n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388318
PNG
(CHEMBL2057227)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C38H52N2O9/c1-27-9-4-6-17-38(27,44)35(41)36(42)40-18-7-5-12-31(40)37(43)49-32(15-13-28-14-16-33(45-2)34(25-28)46-3)29-10-8-11-30(26-29)48-24-21-39-19-22-47-23-20-39/h8,10-11,14,16,25-27,31-32,44H,4-7,9,12-13,15,17-24H2,1-3H3/t27-,31+,32-,38+/m1/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388300
PNG
(CHEMBL2058796)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C36H43N3O9S2/c1-44-32-14-10-25(22-33(32)45-2)9-13-31(26-6-5-7-27(23-26)47-21-18-38-16-19-46-20-17-38)48-35(40)30-8-3-4-15-39(30)50(42,43)28-11-12-29-34(24-28)49-36(41)37-29/h5-7,10-12,14,22-24,30-31H,3-4,8-9,13,15-21H2,1-2H3,(H,37,41)/t30-,31+/m0/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388311
PNG
(CHEMBL2059026)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1
Show InChI InChI=1S/C30H40N2O6/c1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5/h9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3/t23-,24+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388319
PNG
(CHEMBL2059033)
Show SMILES CC[C@@H]1CCCC[C@@]1(O)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/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27+,28-,35+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by 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)
BDBM50388320
PNG
(CHEMBL2059034)
Show SMILES CC[C@H]1CCCC[C@]1(O)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/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27-,28+,35+/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by 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)
BDBM50388323
PNG
(CHEMBL2059237)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34-/m0/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388309
PNG
(CHEMBL2059024)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C36H50N2O8/c1-6-36(2,3)33(39)34(40)38-17-8-7-12-29(38)35(41)46-30(15-13-26-14-16-31(42-4)32(24-26)43-5)27-10-9-11-28(25-27)45-23-20-37-18-21-44-22-19-37/h9-11,14,16,24-25,29-30H,6-8,12-13,15,17-23H2,1-5H3/t29-,30+/m0/s1
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n/an/a 4.15E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388323
PNG
(CHEMBL2059237)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34-/m0/s1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388314
PNG
(CHEMBL2059029)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26+,27-,34+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388314
PNG
(CHEMBL2059029)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26+,27-,34+/m1/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388324
PNG
(CHEMBL2059238)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34+/m0/s1
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n/an/a 4.54E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388325
PNG
(CHEMBL2059239)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@H]2C)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26+,27-,34-/m1/s1
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n/an/a 4.96E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388319
PNG
(CHEMBL2059033)
Show SMILES CC[C@@H]1CCCC[C@@]1(O)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/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27+,28-,35+/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by 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)
BDBM50388288
PNG
(CHEMBL2058494)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H33Cl2NO10S/c1-41-27-12-10-19(14-28(27)42-2)9-11-26(20-6-5-7-21(15-20)43-18-29(35)36)44-31(38)25-8-3-4-13-34(25)45(39,40)22-16-23(32)30(37)24(33)17-22/h5-7,10,12,14-17,25-26,37H,3-4,8-9,11,13,18H2,1-2H3,(H,35,36)/t25-,26+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


Citation and Details
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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n/an/a 6.30E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain 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)
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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n/an/a 8.36E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by 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)
BDBM50388322
PNG
(CHEMBL2059036)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2CO)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C34H43NO11/c1-43-28-15-13-22(18-29(28)44-2)12-14-27(23-8-7-10-25(19-23)45-21-30(37)38)46-33(41)26-11-4-6-17-35(26)32(40)31(39)34(42)16-5-3-9-24(34)20-36/h7-8,10,13,15,18-19,24,26-27,36,42H,3-6,9,11-12,14,16-17,20-21H2,1-2H3,(H,37,38)/t24-,26-,27+,34-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50109811
PNG
((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
Show InChI InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
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n/an/a 8.52E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388326
PNG
(CHEMBL2059240)
Show SMILES CC[C@H]1CCCC[C@@]1(O)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/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27-,28+,35-/m0/s1
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n/an/a 9.13E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388321
PNG
(CHEMBL2059035)
Show SMILES CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C39H54N2O9/c1-4-30-11-5-7-18-39(30,45)36(42)37(43)41-19-8-6-13-32(41)38(44)50-33(16-14-28-15-17-34(46-2)35(26-28)47-3)29-10-9-12-31(27-29)49-25-22-40-20-23-48-24-21-40/h9-10,12,15,17,26-27,30,32-33,45H,4-8,11,13-14,16,18-25H2,1-3H3/t30-,32+,33-,39+/m1/s1
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n/an/a 9.66E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388270
PNG
(CHEMBL2058800)
Show SMILES Oc1c(Cl)cc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
Show InChI InChI=1S/C29H33Cl2N3O5S/c30-25-17-24(18-26(31)28(25)35)40(37,38)34-16-2-1-13-27(34)29(36)39-23(11-3-7-21-9-5-14-32-19-21)12-4-8-22-10-6-15-33-20-22/h5-6,9-10,14-15,17-20,23,27,35H,1-4,7-8,11-13,16H2/t27-/m0/s1
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n/an/a 9.69E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388273
PNG
(CHEMBL2058224)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C32H34N2O9S2/c1-40-28-14-10-21(16-29(28)41-2)9-13-27(22-6-5-7-23(17-22)42-19-31(35)36)43-32(37)26-8-3-4-15-34(26)45(38,39)24-11-12-25-30(18-24)44-20-33-25/h5-7,10-12,14,16-18,20,26-27H,3-4,8-9,13,15,19H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388267
PNG
(CHEMBL2058797)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C37H45Cl2N3O9S/c1-25(43)40-36-30(38)23-29(24-31(36)39)52(45,46)42-14-5-4-9-32(42)37(44)51-33(12-10-26-11-13-34(47-2)35(21-26)48-3)27-7-6-8-28(22-27)50-20-17-41-15-18-49-19-16-41/h6-8,11,13,21-24,32-33H,4-5,9-10,12,14-20H2,1-3H3,(H,40,43)/t32-,33+/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388293
PNG
(CHEMBL2058787)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C32H34N2O10S2/c1-41-27-14-10-20(16-28(27)42-2)9-13-26(21-6-5-7-22(17-21)43-19-30(35)36)44-31(37)25-8-3-4-15-34(25)46(39,40)23-11-12-24-29(18-23)45-32(38)33-24/h5-7,10-12,14,16-18,25-26H,3-4,8-9,13,15,19H2,1-2H3,(H,33,38)(H,35,36)/t25-,26+/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388310
PNG
(CHEMBL2059025)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C35H48N2O8/c1-6-35(2,3)32(38)33(39)37-16-8-11-28(37)34(40)45-29(14-12-25-13-15-30(41-4)31(23-25)42-5)26-9-7-10-27(24-26)44-22-19-36-17-20-43-21-18-36/h7,9-10,13,15,23-24,28-29H,6,8,11-12,14,16-22H2,1-5H3/t28-,29+/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388279
PNG
(CHEMBL2058233)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Br)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H34BrNO9S/c1-39-28-15-13-21(17-29(28)40-2)12-14-27(22-7-5-9-24(18-22)41-20-30(34)35)42-31(36)26-11-3-4-16-33(26)43(37,38)25-10-6-8-23(32)19-25/h5-10,13,15,17-19,26-27H,3-4,11-12,14,16,20H2,1-2H3,(H,34,35)/t26-,27+/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388290
PNG
(CHEMBL2058496)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H36Cl2N2O10S/c1-20(38)36-32-25(34)17-24(18-26(32)35)48(42,43)37-14-5-4-9-27(37)33(41)47-28(22-7-6-8-23(16-22)46-19-31(39)40)12-10-21-11-13-29(44-2)30(15-21)45-3/h6-8,11,13,15-18,27-28H,4-5,9-10,12,14,19H2,1-3H3,(H,36,38)(H,39,40)/t27-,28+/m0/s1
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n/an/a 1.61E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388289
PNG
(CHEMBL2058495)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C32H35Cl2NO10S/c1-41-28-13-11-20(15-29(28)42-2)10-12-27(21-7-6-8-22(16-21)44-19-30(36)37)45-32(38)26-9-4-5-14-35(26)46(39,40)23-17-24(33)31(43-3)25(34)18-23/h6-8,11,13,15-18,26-27H,4-5,9-10,12,14,19H2,1-3H3,(H,36,37)/t26-,27+/m0/s1
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n/an/a 1.64E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388266
PNG
(CHEMBL2058500)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3nc(C)sc3c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H36N2O9S2/c1-21-34-26-13-12-25(19-31(26)45-21)46(39,40)35-16-5-4-9-27(35)33(38)44-28(23-7-6-8-24(18-23)43-20-32(36)37)14-10-22-11-15-29(41-2)30(17-22)42-3/h6-8,11-13,15,17-19,27-28H,4-5,9-10,14,16,20H2,1-3H3,(H,36,37)/t27-,28+/m0/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388312
PNG
(CHEMBL2059027)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C36H41NO12/c1-43-28-15-13-22(17-29(28)44-2)12-14-27(23-9-8-10-25(18-23)48-21-32(38)39)49-36(42)26-11-6-7-16-37(26)35(41)33(40)24-19-30(45-3)34(47-5)31(20-24)46-4/h8-10,13,15,17-20,26-27H,6-7,11-12,14,16,21H2,1-5H3,(H,38,39)/t26-,27+/m0/s1
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n/an/a 1.93E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388280
PNG
(CHEMBL2058234)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H33Cl2NO9S/c1-40-28-12-10-20(14-29(28)41-2)9-11-27(21-6-5-7-24(15-21)42-19-30(35)36)43-31(37)26-8-3-4-13-34(26)44(38,39)25-17-22(32)16-23(33)18-25/h5-7,10,12,14-18,26-27H,3-4,8-9,11,13,19H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388291
PNG
(CHEMBL2058498)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3CCOc3c(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H36N2O12S/c1-43-29-12-10-21(16-30(29)44-2)9-11-28(22-6-5-7-24(17-22)46-20-31(36)37)47-33(38)26-8-3-4-14-34(26)48(41,42)25-18-23-13-15-45-32(23)27(19-25)35(39)40/h5-7,10,12,16-19,26,28H,3-4,8-9,11,13-15,20H2,1-2H3,(H,36,37)/t26-,28+/m0/s1
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n/an/a 2.72E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388276
PNG
(CHEMBL2058227)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)C#N)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C32H34N2O9S/c1-40-29-15-13-22(18-30(29)41-2)12-14-28(24-8-6-9-25(19-24)42-21-31(35)36)43-32(37)27-11-3-4-16-34(27)44(38,39)26-10-5-7-23(17-26)20-33/h5-10,13,15,17-19,27-28H,3-4,11-12,14,16,21H2,1-2H3,(H,35,36)/t27-,28+/m0/s1
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n/an/a 2.85E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388316
PNG
(CHEMBL2059031)
Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)cc1OC
Show InChI InChI=1S/C25H35NO8/c1-17-8-4-6-12-25(17,30)22(27)23(28)26-13-7-5-9-19(26)24(29)34-15-14-33-18-10-11-20(31-2)21(16-18)32-3/h10-11,16-17,19,30H,4-9,12-15H2,1-3H3/t17-,19+,25+/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388283
PNG
(CHEMBL2058237)
Show SMILES COc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H36ClNO10S/c1-40-28-15-12-24(19-25(28)33)45(38,39)34-16-5-4-9-26(34)32(37)44-27(22-7-6-8-23(18-22)43-20-31(35)36)13-10-21-11-14-29(41-2)30(17-21)42-3/h6-8,11-12,14-15,17-19,26-27H,4-5,9-10,13,16,20H2,1-3H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a 2.96E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388272
PNG
(CHEMBL2058223)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H34ClNO9S/c1-39-28-15-13-21(17-29(28)40-2)12-14-27(22-7-5-9-24(18-22)41-20-30(34)35)42-31(36)26-11-3-4-16-33(26)43(37,38)25-10-6-8-23(32)19-25/h5-10,13,15,17-19,26-27H,3-4,11-12,14,16,20H2,1-2H3,(H,34,35)/t26-,27+/m0/s1
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n/an/a 3.07E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388304
PNG
(CHEMBL2058802)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CC=CC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H39NO9/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/h7-11,14,16,18-19,24-25H,6,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
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n/an/a 3.27E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388301
PNG
(CHEMBL2058229)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(N)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H36N2O9S/c1-39-28-15-13-21(17-29(28)40-2)12-14-27(22-7-5-9-24(18-22)41-20-30(34)35)42-31(36)26-11-3-4-16-33(26)43(37,38)25-10-6-8-23(32)19-25/h5-10,13,15,17-19,26-27H,3-4,11-12,14,16,20,32H2,1-2H3,(H,34,35)/t26-,27+/m0/s1
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n/an/a 4.54E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388265
PNG
(CHEMBL2058228)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H34N2O11S/c1-41-28-15-13-21(17-29(28)42-2)12-14-27(22-7-5-9-24(18-22)43-20-30(34)35)44-31(36)26-11-3-4-16-32(26)45(39,40)25-10-6-8-23(19-25)33(37)38/h5-10,13,15,17-19,26-27H,3-4,11-12,14,16,20H2,1-2H3,(H,34,35)/t26-,27+/m0/s1
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n/an/a 4.72E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388299
PNG
(CHEMBL2058795)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C36H44Cl2N2O9S/c1-44-33-13-11-25(21-34(33)45-2)10-12-32(26-7-6-8-27(22-26)48-20-17-39-15-18-47-19-16-39)49-36(41)31-9-4-5-14-40(31)50(42,43)28-23-29(37)35(46-3)30(38)24-28/h6-8,11,13,21-24,31-32H,4-5,9-10,12,14-20H2,1-3H3/t31-,32+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388297
PNG
(CHEMBL2058793)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C36H43N3O8S2/c1-43-33-14-10-26(22-34(33)44-2)9-13-32(27-6-5-7-28(23-27)46-21-18-38-16-19-45-20-17-38)47-36(40)31-8-3-4-15-39(31)49(41,42)29-11-12-30-35(24-29)48-25-37-30/h5-7,10-12,14,22-25,31-32H,3-4,8-9,13,15-21H2,1-2H3/t31-,32+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388296
PNG
(CHEMBL2058792)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1S/C35H42Cl2N2O8S/c1-43-33-12-10-25(20-34(33)44-2)9-11-32(26-6-5-7-29(21-26)46-19-16-38-14-17-45-18-15-38)47-35(40)31-8-3-4-13-39(31)48(41,42)30-23-27(36)22-28(37)24-30/h5-7,10,12,20-24,31-32H,3-4,8-9,11,13-19H2,1-2H3/t31-,32+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388303
PNG
(CHEMBL2058801)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H39NO9/c1-6-31(2,3)28(35)29(36)32-16-8-11-23(32)30(37)41-24(21-9-7-10-22(18-21)40-19-27(33)34)14-12-20-13-15-25(38-4)26(17-20)39-5/h7,9-10,13,15,17-18,23-24H,6,8,11-12,14,16,19H2,1-5H3,(H,33,34)/t23-,24+/m0/s1
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n/an/a 5.15E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay


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


(Homo sapiens)
BDBM50388278
PNG
(CHEMBL2058232)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H34FNO9S/c1-39-28-15-13-21(17-29(28)40-2)12-14-27(22-7-5-9-24(18-22)41-20-30(34)35)42-31(36)26-11-3-4-16-33(26)43(37,38)25-10-6-8-23(32)19-25/h5-10,13,15,17-19,26-27H,3-4,11-12,14,16,20H2,1-2H3,(H,34,35)/t26-,27+/m0/s1
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n/an/a 5.41E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388271
PNG
(CHEMBL2058222)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(cc2)-c2ncccn2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C35H37N3O9S/c1-44-31-17-11-24(21-32(31)45-2)10-16-30(26-7-5-8-27(22-26)46-23-33(39)40)47-35(41)29-9-3-4-20-38(29)48(42,43)28-14-12-25(13-15-28)34-36-18-6-19-37-34/h5-8,11-15,17-19,21-22,29-30H,3-4,9-10,16,20,23H2,1-2H3,(H,39,40)/t29-,30+/m0/s1
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n/an/a 6.28E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388295
PNG
(CHEMBL2058791)
Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)cc1OC
Show InChI InChI=1S/C23H26N2O7S2/c1-29-20-9-6-16(13-21(20)30-2)31-11-12-32-23(26)19-5-3-4-10-25(19)34(27,28)17-7-8-18-22(14-17)33-15-24-18/h6-9,13-15,19H,3-5,10-12H2,1-2H3/t19-/m0/s1
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n/an/a 6.63E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388275
PNG
(CHEMBL2058226)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C33H35NO9S2/c1-40-28-16-14-22(18-29(28)41-2)13-15-27(23-9-7-10-25(19-23)42-21-31(35)36)43-33(37)26-11-5-6-17-34(26)45(38,39)32-20-24-8-3-4-12-30(24)44-32/h3-4,7-10,12,14,16,18-20,26-27H,5-6,11,13,15,17,21H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a 6.71E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388284
PNG
(CHEMBL2058238)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(F)cc(F)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H33F2NO9S/c1-40-28-12-10-20(14-29(28)41-2)9-11-27(21-6-5-7-24(15-21)42-19-30(35)36)43-31(37)26-8-3-4-13-34(26)44(38,39)25-17-22(32)16-23(33)18-25/h5-7,10,12,14-18,26-27H,3-4,8-9,11,13,19H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a 8.82E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


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


(Homo sapiens)
BDBM50388281
PNG
(CHEMBL2058235)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1S/C31H33Cl2NO9S/c1-40-28-14-10-20(16-29(28)41-2)9-13-27(21-6-5-7-22(17-21)42-19-30(35)36)43-31(37)26-8-3-4-15-34(26)44(38,39)23-11-12-24(32)25(33)18-23/h5-7,10-12,14,16-18,26-27H,3-4,8-9,13,15,19H2,1-2H3,(H,35,36)/t26-,27+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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