Found 35 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM36609
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| Purchase
MCE
KEGG
PC cid
PC sid
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Similars
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432752
(FK-506)Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C\[C@H](C)[C@@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r| Show InChI InChI=1S/C45H71NO12/c1-10-13-32-21-26(2)20-27(3)22-38(55-8)41-39(56-9)23-29(5)45(53,58-41)42(50)43(51)46-19-12-11-14-33(46)44(52)57-40(30(6)35(48)25-36(32)49)28(4)15-16-31-17-18-34(47)37(24-31)54-7/h10,15-16,21,27-35,37-41,47-48,53H,1,11-14,17-20,22-25H2,2-9H3/b16-15+,26-21+/t27-,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39-,40-,41+,45+/m0/s1 | PDB
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PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50388298
(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 |r| 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 | PDB
MMDB
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PC cid
PC sid
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432732
(CHEMBL2348594)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC |TLB:32:31:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30) | PDB
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| PDB
Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50432739
(CHEMBL2348604)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:32.7.8| Show InChI InChI=1S/C29H34N2O8/c1-29-23-9-7-8-19(27(33)30(29)11-10-16-12-18(35-2)15-20(36-3)24(16)29)31(23)28(34)25(32)17-13-21(37-4)26(39-6)22(14-17)38-5/h12-15,19,23H,7-11H2,1-6H3/t19?,23?,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50432736
(CHEMBL2348607)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)cc(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:27.7.8| Show InChI InChI=1S/C24H26Cl2N2O5S/c1-24-21-6-4-5-19(28(21)34(30,31)18-11-15(25)10-16(26)12-18)23(29)27(24)8-7-14-9-17(32-2)13-20(33-3)22(14)24/h9-13,19,21H,4-8H2,1-3H3/t19?,21?,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432740
(CHEMBL2348599)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1OC |TLB:31:30:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C24H28Cl2N2O7S/c1-33-21-7-6-16(12-22(21)34-2)35-11-10-27-9-8-15-4-3-5-20(24(27)30)28(15)36(31,32)17-13-18(25)23(29)19(26)14-17/h6-7,12-15,20,29H,3-5,8-11H2,1-2H3 | PDB
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PC cid
PC sid
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| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432748
(CHEMBL2348587)Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:29:28:16:12.13.14| Show InChI InChI=1S/C23H26Cl2N2O6S/c1-31-21-7-6-18(13-22(21)32-2)33-9-8-26-14-17-4-3-5-20(23(26)28)27(17)34(29,30)19-11-15(24)10-16(25)12-19/h6-7,10-13,17,20H,3-5,8-9,14H2,1-2H3 | PDB
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PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50432735
(CHEMBL2348608)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)c(O)c(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8| Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24-20-6-4-5-18(28(20)35(31,32)15-11-16(25)22(29)17(26)12-15)23(30)27(24)8-7-13-9-14(33-2)10-19(34-3)21(13)24/h9-12,18,20,29H,4-8H2,1-3H3/t18?,20?,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432745
(CHEMBL2348591)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC |TLB:31:30:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O6S2/c1-32-22-9-6-18(14-23(22)33-2)34-13-12-27-11-10-17-4-3-5-21(25(27)29)28(17)36(30,31)19-7-8-20-24(15-19)35-16-26-20/h6-9,14-17,21H,3-5,10-13H2,1-2H3 | PDB
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| PDB
Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50132556
((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 | PDB
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| PDB
Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50432738
(CHEMBL2348605)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)[C@]4(C)CCCC[C@H]4C)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8| Show InChI InChI=1S/C28H38N2O5/c1-17-9-6-7-13-27(17,2)24(31)26(33)30-20-10-8-11-22(30)28(3)23-18(12-14-29(28)25(20)32)15-19(34-4)16-21(23)35-5/h15-17,20,22H,6-14H2,1-5H3/t17-,20?,22?,27-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432734
(CHEMBL2348592)Show SMILES COc1ccc(OCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC Show InChI InChI=1S/C23H26N2O8S2/c1-30-19-9-6-15(13-20(19)31-2)32-11-12-33-22(26)18-5-3-4-10-25(18)35(28,29)16-7-8-17-21(14-16)34-23(27)24-17/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H,24,27) | PDB
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| PDB
Article
PubMed
| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432747
(CHEMBL2348588)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2=O)cc1OC |TLB:30:29:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C24H28Cl2N2O6S/c1-32-22-7-6-19(15-23(22)33-2)34-11-10-27-9-8-18-4-3-5-21(24(27)29)28(18)35(30,31)20-13-16(25)12-17(26)14-20/h6-7,12-15,18,21H,3-5,8-11H2,1-2H3 | PDB
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PC cid
PC sid
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Similars
| Article
PubMed
| 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432742
(CHEMBL2348597)Show SMILES O=C1NCCC2CCCC1N2S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 |TLB:0:1:10:6.7.8| Show InChI InChI=1S/C15H17N3O4S2/c19-14-12-3-1-2-9(6-7-16-14)18(12)24(21,22)10-4-5-11-13(8-10)23-15(20)17-11/h4-5,8-9,12H,1-3,6-7H2,(H,16,19)(H,17,20) | PDB
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PC sid
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Similars
| Article
PubMed
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50388280
(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 |r| 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 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432733
(CHEMBL2348593)Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:31:30:16:12.13.14| Show InChI InChI=1S/C24H27N3O7S2/c1-32-20-9-6-16(12-21(20)33-2)34-11-10-26-14-15-4-3-5-19(23(26)28)27(15)36(30,31)17-7-8-18-22(13-17)35-24(29)25-18/h6-9,12-13,15,19H,3-5,10-11,14H2,1-2H3,(H,25,29) | PDB
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Article
PubMed
| 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432739
(CHEMBL2348604)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:32.7.8| Show InChI InChI=1S/C29H34N2O8/c1-29-23-9-7-8-19(27(33)30(29)11-10-16-12-18(35-2)15-20(36-3)24(16)29)31(23)28(34)25(32)17-13-21(37-4)26(39-6)22(14-17)38-5/h12-15,19,23H,7-11H2,1-6H3/t19?,23?,29-/m0/s1 | PDB
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| Article
PubMed
| 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432749
(CHEMBL2348611)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC |TLB:8:9:17:13.14.15,35:34:17:13.14.15| Show InChI InChI=1S/C29H36N2O9/c1-35-22-10-9-20(17-23(22)36-2)40-14-13-30-12-11-19-7-6-8-21(28(30)33)31(19)29(34)26(32)18-15-24(37-3)27(39-5)25(16-18)38-4/h9-10,15-17,19,21H,6-8,11-14H2,1-5H3 | PDB
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| 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432743
(CHEMBL2348596)Show SMILES O=C1NCC2CCCC1N2S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 |THB:0:1:9:5.6.7| Show InChI InChI=1S/C14H15N3O4S2/c18-13-11-3-1-2-8(7-15-13)17(11)23(20,21)9-4-5-10-12(6-9)22-14(19)16-10/h4-6,8,11H,1-3,7H2,(H,15,18)(H,16,19) | PDB
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| 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50432737
(CHEMBL2348606)Show SMILES CCC(C)(C)C(=O)C(=O)N1[C@H]2CCCC1[C@]1(C)N(CCc3cc(OC)cc(OC)c13)C2=O |r,TLB:7:9:13.12.11:15.17.30| Show InChI InChI=1S/C25H34N2O5/c1-7-24(2,3)21(28)23(30)27-17-9-8-10-19(27)25(4)20-15(11-12-26(25)22(17)29)13-16(31-5)14-18(20)32-6/h13-14,17,19H,7-12H2,1-6H3/t17?,19?,25-/m0/s1 | PDB
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| 2.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432750
(CHEMBL2348610)Show SMILES COc1ccc(OCCN2CC3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:34:33:16:12.13.14| Show InChI InChI=1S/C28H34N2O9/c1-34-21-10-9-19(15-22(21)35-2)39-12-11-29-16-18-7-6-8-20(27(29)32)30(18)28(33)25(31)17-13-23(36-3)26(38-5)24(14-17)37-4/h9-10,13-15,18,20H,6-8,11-12,16H2,1-5H3 | PDB
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PubMed
| 5.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432746
(CHEMBL2348590)Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3ccc4ncsc4c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:30:29:16:12.13.14| Show InChI InChI=1S/C24H27N3O6S2/c1-31-21-9-6-17(12-22(21)32-2)33-11-10-26-14-16-4-3-5-20(24(26)28)27(16)35(29,30)18-7-8-19-23(13-18)34-15-25-19/h6-9,12-13,15-16,20H,3-5,10-11,14H2,1-2H3 | PDB
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| Article
PubMed
| 6.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432738
(CHEMBL2348605)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4C(=O)C(=O)[C@]4(C)CCCC[C@H]4C)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8| Show InChI InChI=1S/C28H38N2O5/c1-17-9-6-7-13-27(17,2)24(31)26(33)30-20-10-8-11-22(30)28(3)23-18(12-14-29(28)25(20)32)15-19(34-4)16-21(23)35-5/h15-17,20,22H,6-14H2,1-5H3/t17-,20?,22?,27-,28+/m1/s1 | PDB
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| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50388294
(CHEMBL2058790)Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC |r| Show InChI InChI=1S/C22H25Cl2NO7S/c1-29-20-7-6-17(14-21(20)30-2)31-9-10-32-22(26)19-5-3-4-8-25(19)33(27,28)18-12-15(23)11-16(24)13-18/h6-7,11-14,19H,3-5,8-10H2,1-2H3/t19-/m0/s1 | PDB
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UniChem
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432751
(CHEMBL2348609)Show SMILES COc1ccc(OCCOC(=O)C2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H33NO10/c1-32-20-10-9-18(16-21(20)33-2)37-12-13-38-27(31)19-8-6-7-11-28(19)26(30)24(29)17-14-22(34-3)25(36-5)23(15-17)35-4/h9-10,14-16,19H,6-8,11-13H2,1-5H3 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432737
(CHEMBL2348606)Show SMILES CCC(C)(C)C(=O)C(=O)N1[C@H]2CCCC1[C@]1(C)N(CCc3cc(OC)cc(OC)c13)C2=O |r,TLB:7:9:13.12.11:15.17.30| Show InChI InChI=1S/C25H34N2O5/c1-7-24(2,3)21(28)23(30)27-17-9-8-10-19(27)25(4)20-15(11-12-26(25)22(17)29)13-16(31-5)14-18(20)32-6/h13-14,17,19H,7-12H2,1-6H3/t17?,19?,25-/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432744
(CHEMBL2348595)Show SMILES CCOC(=O)C1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 Show InChI InChI=1S/C15H18N2O5S2/c1-2-22-14(18)12-5-3-4-8-17(12)24(20,21)10-6-7-11-13(9-10)23-15(19)16-11/h6-7,9,12H,2-5,8H2,1H3,(H,16,19) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50388295
(CHEMBL2058791)Show SMILES COc1ccc(OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)cc1OC |r| Show InChI InChI=1S/C23H26N2O7S2/c1-29-20-9-6-16(13-21(20)30-2)31-11-12-32-23(26)19-5-3-4-10-25(19)34(27,28)17-7-8-18-22(14-17)33-15-24-18/h6-9,13-15,19H,3-5,10-12H2,1-2H3/t19-/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432741
(CHEMBL2348598)Show SMILES CCN1CC2CCCC(N2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O |TLB:1:2:9:5.6.7,THB:27:26:9:5.6.7| Show InChI InChI=1S/C20H26N2O6/c1-5-21-11-13-7-6-8-14(19(21)24)22(13)20(25)17(23)12-9-15(26-2)18(28-4)16(10-12)27-3/h9-10,13-14H,5-8,11H2,1-4H3 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432735
(CHEMBL2348608)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)c(O)c(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:28.7.8| Show InChI InChI=1S/C24H26Cl2N2O6S/c1-24-20-6-4-5-18(28(20)35(31,32)15-11-16(25)22(29)17(26)12-15)23(30)27(24)8-7-13-9-14(33-2)10-19(34-3)21(13)24/h9-12,18,20,29H,4-8H2,1-3H3/t18?,20?,24-/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432736
(CHEMBL2348607)Show SMILES COc1cc2CCN3C(=O)[C@@H]4CCCC(N4S(=O)(=O)c4cc(Cl)cc(Cl)c4)[C@@]3(C)c2c(OC)c1 |r,TLB:16:15:13.12.11:27.7.8| Show InChI InChI=1S/C24H26Cl2N2O5S/c1-24-21-6-4-5-19(28(21)34(30,31)18-11-15(25)10-16(26)12-18)23(29)27(24)8-7-14-9-17(32-2)13-20(33-3)22(14)24/h9-13,19,21H,4-8H2,1-3H3/t19?,21?,24-/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human FKBP51 by competitive fluorescence polarization assay |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432732
(CHEMBL2348594)Show SMILES COc1ccc(OCCN2CCC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC |TLB:32:31:17:13.14.15,8:9:17:13.14.15| Show InChI InChI=1S/C25H29N3O7S2/c1-33-21-9-6-17(14-22(21)34-2)35-13-12-27-11-10-16-4-3-5-20(24(27)29)28(16)37(31,32)18-7-8-19-23(15-18)36-25(30)26-19/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,26,30) | PDB
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Article
PubMed
| n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged FKBP51 FK1 domain (1 to 140) by isothermal titration calorimetric analysis |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432734
(CHEMBL2348592)Show SMILES COc1ccc(OCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC Show InChI InChI=1S/C23H26N2O8S2/c1-30-19-9-6-15(13-20(19)31-2)32-11-12-33-22(26)18-5-3-4-10-25(18)35(28,29)16-7-8-17-21(14-16)34-23(27)24-17/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged FKBP51 FK1 domain (1 to 140) by isothermal titration calorimetric analysis |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP5
(Homo sapiens (Human)) | BDBM50432733
(CHEMBL2348593)Show SMILES COc1ccc(OCCN2CC3CCCC(N3S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)C2=O)cc1OC |TLB:8:9:16:12.13.14,THB:31:30:16:12.13.14| Show InChI InChI=1S/C24H27N3O7S2/c1-32-20-9-6-16(12-21(20)33-2)34-11-10-26-14-15-4-3-5-19(23(26)28)27(15)36(30,31)17-7-8-18-22(13-17)35-24(29)25-18/h6-9,12-13,15,19H,3-5,10-11,14H2,1-2H3,(H,25,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a |
Max Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged FKBP51 FK1 domain (1 to 140) by isothermal titration calorimetric analysis |
J Med Chem 56: 3922-35 (2013)
Article DOI: 10.1021/jm400087k
BindingDB Entry DOI: 10.7270/Q2QZ2CC1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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