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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'FK506 binding protein 4' AND taxid = 9606   
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
FK506 binding protein 4


(Homo sapiens)
BDBM50125326
PNG
(CHEMBL3623618)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C33H43NO8/c1-39-29-17-15-24(19-30(29)40-2)14-16-28(25-11-8-12-26(21-25)41-22-32(36)37)42-33(38)27-13-6-7-18-34(27)31(35)20-23-9-4-3-5-10-23/h8,11-12,15,17,19,21,23,27-28H,3-7,9-10,13-14,16,18,20,22H2,1-2H3,(H,36,37)/t27-,28+/s2
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9.70E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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2.42E+4n/an/an/an/an/an/an/an/a



Max-Planck Research Unit

Curated by ChEMBL


Assay Description
Inhibition constant(Ki) for inhibition of PPIase activity of rabbit FK506 binding protein 52 (Conc=52 nM) of FKBPsfamily


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50403329
PNG
(CHEMBL2115526)
Show SMILES CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C22H35NO6/c1-22(2)16-29-18(24)13-8-6-4-3-5-7-11-15-28-21(27)17-12-9-10-14-23(17)20(26)19(22)25/h17H,3-16H2,1-2H3/t17-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125332
PNG
(CHEMBL3623613)
Show SMILES COc1cc(OC)cc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C41H51NO10/c1-47-32-23-30(24-33(25-32)48-2)39(28-11-6-5-7-12-28)40(45)42-20-9-8-15-34(42)41(46)52-35(29-13-10-14-31(22-29)51-26-38(43)44)18-16-27-17-19-36(49-3)37(21-27)50-4/h10,13-14,17,19,21-25,28,34-35,39H,5-9,11-12,15-16,18,20,26H2,1-4H3,(H,43,44)/t34-,35+,39-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125333
PNG
(CHEMBL3623612)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283391
PNG
(7,7-Dimethyl-tetradecahydro-9,20-dioxa-4a-aza-benz...)
Show SMILES CC1(C)COC(=O)CCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C22H35NO6/c1-22(2)16-29-18(24)13-8-6-4-3-5-7-11-15-28-21(27)17-12-9-10-14-23(17)20(26)19(22)25/h17H,3-16H2,1-2H3
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Article
9.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50403328
PNG
(CHEMBL1235837)
Show SMILES CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125331
PNG
(CHEMBL3623614)
Show SMILES COc1cccc(c1)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1
Show InChI InChI=1/C40H49NO9/c1-46-31-15-10-14-30(25-31)38(28-11-5-4-6-12-28)39(44)41-22-8-7-17-33(41)40(45)50-34(29-13-9-16-32(24-29)49-26-37(42)43)20-18-27-19-21-35(47-2)36(23-27)48-3/h9-10,13-16,19,21,23-25,28,33-34,38H,4-8,11-12,17-18,20,22,26H2,1-3H3,(H,42,43)/t33-,34+,38-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283390
PNG
(21-(2-Cyclohexyl-ethyl)-7,7-dimethyl-hexadecahydro...)
Show SMILES CC1(C)COC(=O)CCCCCCCCCCC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C32H53NO6/c1-32(2)24-38-28(34)20-13-8-6-4-3-5-7-12-18-26(22-21-25-16-10-9-11-17-25)39-31(37)27-19-14-15-23-33(27)30(36)29(32)35/h25-27H,3-24H2,1-2H3
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1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283388
PNG
(7,7-Dimethyl-hexadecahydro-9,22-dioxa-4a-aza-benzo...)
Show SMILES CC1(C)COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3
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2.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283387
PNG
((11E,13Z)-7,7-Dimethyl-1,3,4,7,8,16,17,18,19,20,21...)
Show SMILES CC1(C)COC(=O)\C=C\C=C/CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C24H35NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h6,8,10,15,19H,3-5,7,9,11-14,16-18H2,1-2H3/b8-6-,15-10+
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3.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125328
PNG
(CHEMBL3623616)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C36H47NO8/c1-4-11-29(26-12-6-5-7-13-26)35(40)37-21-9-8-16-30(37)36(41)45-31(27-14-10-15-28(23-27)44-24-34(38)39)19-17-25-18-20-32(42-2)33(22-25)43-3/h4,10,14-15,18,20,22-23,26,29-31H,1,5-9,11-13,16-17,19,21,24H2,2-3H3,(H,38,39)/t29-,30+,31-/s2
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>5.00E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125329
PNG
(CHEMBL3623615)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C39H47NO8/c1-45-34-22-20-27(24-35(34)46-2)19-21-33(30-16-11-17-31(25-30)47-26-36(41)42)48-39(44)32-18-9-10-23-40(32)38(43)37(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3,5-6,11-13,16-17,20,22,24-25,29,32-33,37H,4,7-10,14-15,18-19,21,23,26H2,1-2H3,(H,41,42)/t32-,33+,37+/s2
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>5.00E+5n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283389
PNG
((11E,13E)-7,7-Dimethyl-1,3,4,7,8,16,17,18,19,20,21...)
Show SMILES CC1(C)COC(=O)\C=C\C=C\CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C24H35NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h6,8,10,15,19H,3-5,7,9,11-14,16-18H2,1-2H3/b8-6+,15-10+
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8.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50125327
PNG
(CHEMBL3623617)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC
Show InChI InChI=1/C34H45NO8/c1-23(25-10-5-4-6-11-25)33(38)35-19-8-7-14-28(35)34(39)43-29(26-12-9-13-27(21-26)42-22-32(36)37)17-15-24-16-18-30(40-2)31(20-24)41-3/h9,12-13,16,18,20-21,23,25,28-29H,4-8,10-11,14-15,17,19,22H2,1-3H3,(H,36,37)/t23-,28+,29-/s2
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>1.00E+6n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283392
PNG
(7,7-Dimethyl-octahydro-9,14-dioxa-4a-aza-benzocycl...)
Show SMILES CC1(C)COC(=O)CCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C16H23NO6/c1-16(2)10-23-12(18)7-5-9-22-15(21)11-6-3-4-8-17(11)14(20)13(16)19/h11H,3-10H2,1-2H3
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2.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50283386
PNG
(7,7-Dimethyl-icosahydro-9,26-dioxa-4a-aza-benzocyc...)
Show SMILES CC1(C)COC(=O)CCCCCCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O
Show InChI InChI=1S/C28H47NO6/c1-28(2)22-35-24(30)19-14-12-10-8-6-4-3-5-7-9-11-13-17-21-34-27(33)23-18-15-16-20-29(23)26(32)25(28)31/h23H,3-22H2,1-2H3
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1.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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PubMed
n/an/a 16n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay


J Med Chem 43: 1770-9 (2000)

More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 710n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 890n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.07E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.13E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.44E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.64E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.64E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.80E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.88E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 3.41E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 3.50E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 3.72E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 4.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 5.55E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 6.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 7.37E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50068939
PNG
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)
Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay


J Med Chem 43: 1770-9 (2000)

More data for this
Ligand-Target Pair
FK506 binding protein 4


(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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PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 9.37E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
FK506 binding protein 4


(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 9.50E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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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PubMed
n/an/a 9.77E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.05E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
FK506 binding protein 4


(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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Article
PubMed
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 FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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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PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.43E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(Homo sapiens)
BDBM50118067
PNG
(CHEMBL126888 | N-{1-[(Ethoxy-{2-[1-(4-nitro-phenyl...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25?,47?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...


J Med Chem 45: 3928-33 (2002)

More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.51E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.57E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 1.77E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.03E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
FK506 binding protein 4


(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 2.05E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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