Found 28 hits of ki for UniProtKB: Q02790 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50263407
(CHEMBL4090599)Show SMILES [H][C@]12CCC[C@]([H])(N1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N(Cc1ccccn1)C[C@@H]2COC |r,TLB:31:30:7:2.3.4,20:19:7:2.3.4,THB:22:21:7:2.3.4| Show InChI InChI=1S/C22H25Cl2N3O4S/c1-31-14-15-12-26(13-18-5-2-3-8-25-18)22(28)21-7-4-6-20(15)27(21)32(29,30)19-10-16(23)9-17(24)11-19/h2-3,5,8-11,15,20-21H,4,6-7,12-14H2,1H3/t15-,20-,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Translational Research in Psychiatry , Max Planck Institute of Psychiatry , 80804 Munich , Germany.
Curated by ChEMBL
| Assay Description
Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)prop... |
J Med Chem 61: 3660-3673 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00137
BindingDB Entry DOI: 10.7270/Q2833VGW |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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| PDB
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM23334
(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r| Show InChI InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
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MCE
MMDB
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UniChem
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| | 936 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50080534
(CHEMBL333448 | ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-di...)Show SMILES CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@@H](C)C[C@H](C)C2=O)CC1=O Show InChI InChI=1S/C19H29NO6/c1-4-26-18(24)10-20-16(22)8-13(9-17(20)23)7-15(21)14-6-11(2)5-12(3)19(14)25/h11-15,21H,4-10H2,1-3H3/t11-,12-,14-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
MMDB
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UniChem
| | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125326
(CHEMBL3623618)Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)CC2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613621
(CHEMBL5268083) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| UniChem
| | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50080528
(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 |r| 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 | PDB
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| Article
PubMed
| 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 42: 3615-22 (1999)
Article DOI: 10.1021/jm991038t
BindingDB Entry DOI: 10.7270/Q2DB8124 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50403329
(CHEMBL2115526)Show SMILES CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O |r| 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 | PDB
MMDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125333
(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 | PDB
MMDB
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| Purchase
CHEMBL
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| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125332
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613635
(CHEMBL5291024) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613636
(CHEMBL5286207) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613634
(CHEMBL5289205) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613631
(CHEMBL5281156) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283391
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613633
(CHEMBL5271713) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50403328
(CHEMBL1235837)Show SMILES CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O |r| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125331
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50613632
(CHEMBL5270994) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283390
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283388
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
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Similars
| Article
| 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283387
((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 |c:9,t:7| 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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125329
(CHEMBL3623615)Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2ccccc2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/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+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125328
(CHEMBL3623616)Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC=C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/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-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283389
((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 |t:7,9| 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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50125327
(CHEMBL3623617)Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/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-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry
Curated by ChEMBL
| Assay Description
Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay |
J Med Chem 58: 7796-806 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283392
(7,7-Dimethyl-octahydro-9,14-dioxa-4a-aza-benzocycl...)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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283386
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
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