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PubMed code 26954324

Compile data set for download or QSAR
Found 77 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r,t:45|
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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162684
PNG
(CHEMBL3793603)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162699
PNG
(CHEMBL3794186)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162685
PNG
(CHEMBL3792510)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162699
PNG
(CHEMBL3794186)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCOCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 3.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162684
PNG
(CHEMBL3793603)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162654
PNG
(CHEMBL3793309)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCCC(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162654
PNG
(CHEMBL3793309)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCCC(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162685
PNG
(CHEMBL3792510)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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 human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162683
PNG
(CHEMBL3792567)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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 5.60E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162623
PNG
(CHEMBL3794343)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCC(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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 6.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162663
PNG
(CHEMBL3793778)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C29H45N3O6/c1-18(2)15-21(27(30)33)31-28(34)22-13-9-10-14-32(22)29(35)25(19-11-7-6-8-12-19)20-16-23(36-3)26(38-5)24(17-20)37-4/h16-19,21-22,25H,6-15H2,1-5H3,(H2,30,33)(H,31,34)/t21-,22-,25-/m0/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162671
PNG
(CHEMBL3794194)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H49N3O6/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/h19-22,24-25,28H,4-18H2,1-3H3,(H2,33,36)(H,34,37)/t24-,25-,28-/m0/s1
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 6.60E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 7.50E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162503
PNG
(CHEMBL3793385)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCC(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-33-20-15-18(16-21(34-2)24(20)35-3)23(17-9-5-4-6-10-17)26(32)29-14-8-7-11-19(29)25(31)28-13-12-22(27)30/h15-17,19,23H,4-14H2,1-3H3,(H2,27,30)(H,28,31)/t19-,23-/m0/s1
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 7.90E+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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162663
PNG
(CHEMBL3793778)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C29H45N3O6/c1-18(2)15-21(27(30)33)31-28(34)22-13-9-10-14-32(22)29(35)25(19-11-7-6-8-12-19)20-16-23(36-3)26(38-5)24(17-20)37-4/h16-19,21-22,25H,6-15H2,1-5H3,(H2,30,33)(H,31,34)/t21-,22-,25-/m0/s1
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 8.70E+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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m1/s1
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 8.70E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162672
PNG
(CHEMBL3793921)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H45N3O6/c1-40-27-20-24(21-28(41-2)30(27)42-3)29(23-14-8-5-9-15-23)33(39)36-19-11-10-16-26(36)32(38)35-25(31(34)37)18-17-22-12-6-4-7-13-22/h4,6-7,12-13,20-21,23,25-26,29H,5,8-11,14-19H2,1-3H3,(H2,34,37)(H,35,38)/t25-,26-,29-/m0/s1
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 9.10E+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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162656
PNG
(CHEMBL3793250)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-16(24(27)30)28-25(31)19-12-8-9-13-29(19)26(32)22(17-10-6-5-7-11-17)18-14-20(33-2)23(35-4)21(15-18)34-3/h14-17,19,22H,5-13H2,1-4H3,(H2,27,30)(H,28,31)/t16-,19+,22+/m1/s1
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 1.00E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.09E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162661
PNG
(CHEMBL3794230)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.15E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162673
PNG
(CHEMBL3792962)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C33H51N3O6/c1-40-27-20-24(21-28(41-2)30(27)42-3)29(23-14-8-5-9-15-23)33(39)36-19-11-10-16-26(36)32(38)35-25(31(34)37)18-17-22-12-6-4-7-13-22/h20-23,25-26,29H,4-19H2,1-3H3,(H2,34,37)(H,35,38)/t25-,26-,29-/m0/s1
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 1.20E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.21E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m0/s1
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 1.24E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162661
PNG
(CHEMBL3794230)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.26E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.28E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162676
PNG
(CHEMBL3794045)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 1.30E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162680
PNG
(CHEMBL3794214)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.34E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162655
PNG
(CHEMBL3793031)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-16(24(27)30)28-25(31)19-12-8-9-13-29(19)26(32)22(17-10-6-5-7-11-17)18-14-20(33-2)23(35-4)21(15-18)34-3/h14-17,19,22H,5-13H2,1-4H3,(H2,27,30)(H,28,31)/t16-,19-,22-/m0/s1
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 1.71E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162671
PNG
(CHEMBL3794194)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C32H49N3O6/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/h19-22,24-25,28H,4-18H2,1-3H3,(H2,33,36)(H,34,37)/t24-,25-,28-/m0/s1
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 1.78E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162682
PNG
(CHEMBL3792925)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CC1)C(N)=O |r|
Show InChI InChI=1S/C27H39N3O6/c1-34-20-15-18(16-21(35-2)23(20)36-3)22(17-9-5-4-6-10-17)25(32)30-14-8-7-11-19(30)24(31)29-27(12-13-27)26(28)33/h15-17,19,22H,4-14H2,1-3H3,(H2,28,33)(H,29,31)/t19-,22-/m0/s1
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 1.95E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162623
PNG
(CHEMBL3794343)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCCC(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 2.23E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162673
PNG
(CHEMBL3792962)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C33H51N3O6/c1-40-27-20-24(21-28(41-2)30(27)42-3)29(23-14-8-5-9-15-23)33(39)36-19-11-10-16-26(36)32(38)35-25(31(34)37)18-17-22-12-6-4-7-13-22/h20-23,25-26,29H,4-19H2,1-3H3,(H2,34,37)(H,35,38)/t25-,26-,29-/m0/s1
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 2.25E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162683
PNG
(CHEMBL3792567)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 2.34E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 2.51E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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 2.69E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162672
PNG
(CHEMBL3793921)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H45N3O6/c1-40-27-20-24(21-28(41-2)30(27)42-3)29(23-14-8-5-9-15-23)33(39)36-19-11-10-16-26(36)32(38)35-25(31(34)37)18-17-22-12-6-4-7-13-22/h4,6-7,12-13,20-21,23,25-26,29H,5,8-11,14-19H2,1-3H3,(H2,34,37)(H,35,38)/t25-,26-,29-/m0/s1
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 3.01E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162655
PNG
(CHEMBL3793031)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-16(24(27)30)28-25(31)19-12-8-9-13-29(19)26(32)22(17-10-6-5-7-11-17)18-14-20(33-2)23(35-4)21(15-18)34-3/h14-17,19,22H,5-13H2,1-4H3,(H2,27,30)(H,28,31)/t16-,19-,22-/m0/s1
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 3.07E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162502
PNG
(CHEMBL3793184)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H37N3O6/c1-32-19-13-17(14-20(33-2)23(19)34-3)22(16-9-5-4-6-10-16)25(31)28-12-8-7-11-18(28)24(30)27-15-21(26)29/h13-14,16,18,22H,4-12,15H2,1-3H3,(H2,26,29)(H,27,30)/t18-,22-/m0/s1
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 3.67E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m0/s1
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 3.97E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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 4.69E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162503
PNG
(CHEMBL3793385)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCCC(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-33-20-15-18(16-21(34-2)24(20)35-3)23(17-9-5-4-6-10-17)26(32)29-14-8-7-11-19(29)25(31)28-13-12-22(27)30/h15-17,19,23H,4-14H2,1-3H3,(H2,27,30)(H,28,31)/t19-,23-/m0/s1
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 4.92E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162682
PNG
(CHEMBL3792925)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CC1)C(N)=O |r|
Show InChI InChI=1S/C27H39N3O6/c1-34-20-15-18(16-21(35-2)23(20)36-3)22(17-9-5-4-6-10-17)25(32)30-14-8-7-11-19(30)24(31)29-27(12-13-27)26(28)33/h15-17,19,22H,4-14H2,1-3H3,(H2,28,33)(H,29,31)/t19-,22-/m0/s1
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 5.03E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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-/m0/s1
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 5.19E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162501
PNG
(CHEMBL3792729)
Show SMILES CCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C1CCCCC1)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C25H38N2O5/c1-5-26-24(28)19-13-9-10-14-27(19)25(29)22(17-11-7-6-8-12-17)18-15-20(30-2)23(32-4)21(16-18)31-3/h15-17,19,22H,5-14H2,1-4H3,(H,26,28)/t19-,22-/m0/s1
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 5.50E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162674
PNG
(CHEMBL3792647)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 6.29E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162656
PNG
(CHEMBL3793250)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(N)=O |r|
Show InChI InChI=1S/C26H39N3O6/c1-16(24(27)30)28-25(31)19-12-8-9-13-29(19)26(32)22(17-10-6-5-7-11-17)18-14-20(33-2)23(35-4)21(15-18)34-3/h14-17,19,22H,5-13H2,1-4H3,(H2,27,30)(H,28,31)/t16-,19+,22+/m1/s1
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 7.11E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162680
PNG
(CHEMBL3794214)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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 1.01E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		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 |r|
Show InChI InChI=1S/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+/m1/s1
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 1.20E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162502
PNG
(CHEMBL3793184)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C25H37N3O6/c1-32-19-13-17(14-20(33-2)23(19)34-3)22(16-9-5-4-6-10-16)25(31)28-12-8-7-11-18(28)24(30)27-15-21(26)29/h13-14,16,18,22H,4-12,15H2,1-3H3,(H2,26,29)(H,27,30)/t18-,22-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50162676
PNG
(CHEMBL3794045)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCO)C(N)=O |r|
Show InChI InChI=1S/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-/m0/s1
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 3.17E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5


(Homo sapiens (Human))		BDBM50162678
PNG
(CHEMBL3793834)
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 |r|
Show InChI InChI=1S/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-/m0/s1
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 3.45E+5n/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)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%