Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98337 | Target Info | |||
| Target Name | FK506-binding protein 5 (FKBP5) | ||||
| Synonyms |
Peptidyl-prolyl cis-trans isomerase FKBP5; PPIase FKBP5; HSP90-binding immunophilin; FKBP54; FKBP51; FKBP-51; FKBP-5; FF1 antigen; Androgen-regulated protein 6; AIG6; 54 kDa progesterone receptor-associated immunophilin; 51 kDa FKBP; 51 kDa FK506-binding protein
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| Target Type | Literature-reported Target | ||||
| Gene Name | FKBP5 | ||||
| Biochemical Class | Cis-trans-isomerase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 46 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Gpi-1046
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|
Terminated | Compound Info | ||
| Synonyms |
186452-09-5; gpi-1046; (S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate; CHEMBL6367; L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-, 3-(3-pyridinyl)propyl ester; (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE; 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate; 3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate; GPI; AC1L9I3R; SCHEMBL4766380; BDBM23334; CTK0I3903; DTXSID00332191
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
CID 57522929
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058795; BDBM50388299
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|
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
CID 57522803
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058793; SCHEMBL15062392; BDBM50388297
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
CID 57522802
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058792; BDBM50388296
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|
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
1-[3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348610; SCHEMBL15436060; BDBM50432750
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|
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| Activity |
Ki = 51100 nM
|
[3] | |||
| Compound Name |
CID 57522927
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058801; SCHEMBL15049129; BDBM50388303
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| Activity |
IC50 = 51500 nM
|
[1] | |||
| Compound Name |
CID 57522237
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058232; SCHEMBL15062413; BDBM50388278
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|
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| Activity |
IC50 = 54050 nM
|
[2] | |||
| Compound Name |
(2S)-1-[(2S)-2-Cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-N-ethylpiperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792729; SCHEMBL16586203; BDBM50162501
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| Activity |
Ki = 55000 nM
|
[4] | |||
| Compound Name |
CID 57521881
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058222; SCHEMBL15063118; BDBM50388271
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|
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| Activity |
IC50 = 62800 nM
|
[2] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3792647; SCHEMBL16585978; BDBM50162674
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| Activity |
Ki = 62900 nM
|
[4] | |||
| Compound Name |
9-(Benzo[d]thiazol-6-ylsulfonyl)-3-(2-(3,4-dimethoxyphenoxy)-ethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348590; SCHEMBL15436057; BDBM50432746
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|
||||
| Activity |
Ki = 64800 nM
|
[3] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-(1,3-benzothiazol-6-ylsulfonyl)piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058791; BDBM50388295
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|
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| Activity |
IC50 = 66270 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-1-[(2S)-1-(1-Benzothiophen-2-ylsulfonyl)piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058226; SCHEMBL15069778; BDBM50388275
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|
||||
| Activity |
IC50 = 67100 nM
|
[2] | |||
| Compound Name |
CID 57522349
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058238; SCHEMBL15062586; BDBM50388284
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|
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| Activity |
IC50 = 88200 nM
|
[2] | |||
| Compound Name |
1-[(2R,13S)-4,6-Dimethoxy-2-methyl-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl]-2-[(1R,2R)-1,2-dimethylcyclohexyl]ethane-1,2-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348605; BDBM50432738
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-(3,5-dichlorophenyl)sulfonylpiperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058790; BDBM50388294
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-1-[(2S)-1-(3,4-Dichlorophenyl)sulfonylpiperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058235; BDBM50388281
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Ethyl 1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348595; SCHEMBL14920242; BDBM50432744
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[3-[3-(3,4-Dimethoxyphenyl)-1-[[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]amino]propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058804; BDBM50388306
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-[(3R)-4-(3,3-dimethyl-2-oxopentanoyl)thiomorpholine-3-carbonyl]oxypropyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058803; BDBM50388305
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
CID 57522347
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058236; SCHEMBL15062624; BDBM50388282
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
CID 57522570
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058499; SCHEMBL15062747; BDBM50388292
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
1-[(2R,13S)-4,6-Dimethoxy-2-methyl-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl]-3,3-dimethylpentane-1,2-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348606; BDBM50432737
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-[(2S)-1-pyrimidin-4-ylsulfonylpiperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058231; BDBM50388277
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Timcodar
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|
Investigative | Compound Info | ||
| Synonyms |
vx-853; UNII-U141W322WZ; U141W322WZ; VX853; Timcodar [INN]; VX 853; SCHEMBL3673444; CHEMBL2059028; GTPL10868; BDBM50388313; DB12761; Q27290544
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
[(1R)-3-(3,4-Dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2R,3S)-2-cyclohexyl-3-hydroxy-3-phenylpropanoyl]piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623629; BDBM50125334
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|
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
CID 57522685
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058789; SCHEMBL15062446; BDBM50388264
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R,13S)-17-(3,5-Dichloro-4-hydroxyphenyl)sulfonyl-4,6-dimethoxy-2-methyl-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-12-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348608; BDBM50432735
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
CID 57522684
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058788; SCHEMBL15062388; BDBM50388302
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2059023; SCHEMBL14920841; BDBM50388308
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl (2S)-1-[2-[(1S,2R)-2-ethyl-1-hydroxycyclohexyl]-2-oxoacetyl]piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2059032; BDBM50388317
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[3-[(1R)-1-[(2S)-1-[3,5-Bis(methoxycarbonyl)phenyl]sulfonylpiperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2057219; SCHEMBL15062619; BDBM50388287
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-[(2S)-1-(2-methylpyrimidin-4-yl)sulfonylpiperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058230; BDBM50388263
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R,13S)-17-(3,5-Dichlorophenyl)sulfonyl-4,6-dimethoxy-2-methyl-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-12-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348607; BDBM50432736
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[3-[(1R)-1-[(2S)-1-[3,5-Bis(trifluoromethyl)phenyl]sulfonylpiperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058239; SCHEMBL15062453; BDBM50388285
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-1-[(2S)-1-[3-Bromo-5-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058240; SCHEMBL15062428; BDBM50388286
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-1-[[(2S)-1-(3,5-Dichloro-4-hydroxyphenyl)sulfonylpiperidine-2-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058798; BDBM50388268
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-[[(2S)-1-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carbonyl]amino]propyl]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058799; BDBM50388269
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl 1-(3,5-dichlorophenyl)sulfonylpiperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348612; SCHEMBL14920843
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|
||||
| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl 1-(1,3-benzothiazol-6-ylsulfonyl)piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348589; SCHEMBL14921090
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|
||||
| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(3,4-Dimethoxyphenoxy)ethyl 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348609; SCHEMBL14920732; BDBM50432751
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
CID 57522006
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058225; SCHEMBL15062495; BDBM50388274
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
1-(3-Ethyl-2-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2348598; SCHEMBL15436148; BDBM50432741; 1-(3-ethyl-4-oxo-3,9-diazabicyclo[3.3.1]nonan-9-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
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|
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| Activity |
Ki ~ 100000 nM
|
[3] | |||
| Compound Name |
Methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058805; SCHEMBL1776165; BDBM50388307
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(3,4-Dimethoxyphenyl)ethyl (2S)-1-[2-[(1S,2R)-1-hydroxy-2-methylcyclohexyl]-2-oxoacetyl]piperidine-2-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2059030; BDBM50388315
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL129537; BDBM50067003; (2S)-1-(1,2-Dioxo-3,3-dimethylpentyl)piperidine-2alpha-carboxylic acid 3-(3-pyridinyl)propyl ester
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||||
| Activity |
IC50 ~ 150000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-1-[(2S)-2-Cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]amino]pentanediamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3793834; SCHEMBL16586354; BDBM50162678
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|
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| Activity |
Ki = 345000 nM
|
[4] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Evaluation of synthetic FK506 analogues as ligands for the FK506-binding proteins 51 and 52. J Med Chem. 2012 May 10;55(9):4114-22. | ||||
| REF 2 | Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52. J Med Chem. 2012 May 10;55(9):4123-31. | ||||
| REF 3 | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J Med Chem. 2013 May 23;56(10):3922-35. | ||||
| REF 4 | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J Med Chem. 2016 Mar 24;59(6):2410-22. | ||||
| REF 5 | Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands. J Med Chem. 2015 Oct 8;58(19):7796-806. | ||||
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