Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T53764 | Target Info | |||
| Target Name | Prolyl endopeptidase FAP (FAP) | ||||
| Synonyms |
Integral membrane serine protease; Fibroblast activation protein alpha; FAP; Antiplasmin-cleaving enzyme; APCE; 170-kDa melanoma membrane-bound gelatinase
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| Target Type | Clinical trial Target | ||||
| Gene Name | FAP | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 75 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Anagliptin
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|
Approved | Compound Info | ||
| Synonyms |
Anagliptin; 739366-20-2; UNII-K726J96838; suiny; CHEMBL1929396; (S)-N-(2-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)amino)-2-methylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide; K726J96838; CHEMBL1929387; N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide; Anagliptin [INN]; N-[2-({2-[(2s)-2-Cyanopyrrolidin-1-Yl]-2-Oxoethyl}amino)-2-Methylpropyl]-2-Methylpyrazolo[1,5-A]pyrimidine-6-Carboxamide; Anagliptin (JAN/INN); SCHEMBL905393; sk-0403
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| Activity |
IC50 = 72700 nM
|
[1] | |||
| Compound Name |
Vildagliptin
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Approved | Compound Info | ||
| Synonyms |
Equa; Galvu; Galvus; Jalra; Xiliarx; Galvus (TN); Vidagliptin (see Vildagliptin); Vildagliptin (JAN/USAN/INN); (2S)-(((3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile; (2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; 1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile; 2-Pyrrolidinecarbonitrile, 1-[[(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl]-, (2S)-(9CI)
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| Activity |
IC50 = 73000 nM
|
[2] | |||
| Compound Name |
Alogliptin
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Approved | Compound Info | ||
| Synonyms |
850649-61-5; UNII-JHC049LO86; alogliptina; 2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl}methyl)benzonitrile; SYR-322; JHC049LO86; (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile; CHEBI:72323; AK322010; 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile; vipidia; Alogliptin [INN]; Alogliptin (SYR-322); alogliptinum; alogliptine; HSDB 8203; UNII-JHC049LO86
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Sitagliptin
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Approved | Compound Info | ||
| Synonyms |
486460-32-6; Januvia; Xelevia; Sitagliptan; MK-0431; UNII-QFP0P1DV7Z; Tesavel; QFP0P1DV7Z; (3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE; CHEBI:40237; (R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; Janumet; Sitagliptin phosphate; Januvia (TN); Sitagliptin (PropINN); Januvia (merck & Co); (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; Sitagliptin/atovastatin
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
MK-3102
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Phase 3 | Compound Info | ||
| Synonyms |
Omarigliptin
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| Activity |
IC50 ~ 67000 nM
|
[3] | |||
| Compound Name |
CID 44123747
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1819090; SCHEMBL162310; BDBM50351402
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(3s,5s)-3-[2-(1,3-Dihydro-2h-isoindol-2-yl)-2-oxoethyl]-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1243154; SCHEMBL3395728; BDBM50326393; (3S,5S)-3-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
(S)-3-(2-(2-Cyanopyrrolidin-1-yl)-2-oxoethylamino)-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL217198; BDBM50201584
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
1-[4-(1H-Pyrazole-1-yl)benzyl]-3-methyl-7-(2-butynyl)-8-piperazinoxanthine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616908
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
1-[(4-Methoxyquinazolin-2-yl)methyl]-3-methyl-7-(4-methylpent-3-enyl)-8-(3-oxopiperazin-1-yl)purine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616919
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(2R,3R,5S)-2-(2,5-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425081; BDBM50440350
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| Activity |
IC50 = 51000 nM
|
[7] | |||
| Compound Name |
(1S,2R,5R)-2-(2,5-Difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)cyclohexan-1-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3806179
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| Activity |
IC50 = 53000 nM
|
[8] | |||
| Compound Name |
US9051329, Example 2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3687978; SCHEMBL14554395; BDBM162377
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| Activity |
IC50 = 53600 nM
|
[9] | |||
| Compound Name |
4-[(3R,5S,6R)-5-Amino-6-(2,4,5-trifluorophenyl)oxan-3-yl]-11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),10-trien-9-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805154
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| Activity |
IC50 = 55000 nM
|
[8] | |||
| Compound Name |
(1S,2R,5R)-5-(11-Methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3804854
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| Activity |
IC50 = 57000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805353
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|
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| Activity |
IC50 = 58000 nM
|
[8] | |||
| Compound Name |
(1S,2R,5S)-5-(3-(Trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234635; BDBM50210527
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|
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| Activity |
IC50 = 60000 nM
|
[10] | |||
| Compound Name |
(1S,2R,5S)-5-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8H)-YL]-2-(2,4,5-trifluorophenyl)cyclohexanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233360; SCHEMBL3904882; BDBM50212927; CHEMBL233360 (15); DB07072; Q27095987
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| Activity |
IC50 = 60000 nM
|
[11] | |||
| Compound Name |
(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3806216; Q27456333
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| Activity |
IC50 = 62000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5R)-5-(2-Cyclopropyl-7,7-dimethyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425064; BDBM50440352
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| Activity |
IC50 = 75000 nM
|
[7] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3804950
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| Activity |
IC50 = 77000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5S)-5-(9-Methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805235
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| Activity |
IC50 = 91000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5R)-2-(2-Chloro-5-fluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425074; BDBM50440340
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425069; BDBM50440344
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
1-Benzyl-7-but-2-ynyl-3-methyl-8-piperazin-1-ylpurine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616904
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S)-1-(2-Benzyl-3-oxo-1H-isoindole-4-carbonyl)pyrrolidine-2-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2159748; BDBM50393843
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
(2R,3S,5R)-2-(2,4-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425072; BDBM50440342
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805400
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| Activity |
IC50 = 100000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5R)-5-(2-Cyclopropyl-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,5-difluorophenyl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425065; BDBM50440348
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
2-[3-[2-[2-Cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-3-methyl-1-oxobutyl]-1,3-dihydroisoindole
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Investigative | Compound Info | ||
| Synonyms |
(2S)-cyanopyrrolidine 4; CHEMBL201644; SCHEMBL1069325; BDBM11719; (2S)-Cyanopyrrolidine analogue 21d
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
7-But-2-ynyl-3-methyl-1-[(5-methyl-2-phenyltriazol-4-yl)methyl]-8-piperazin-1-ylpurine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616907
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-But-2-ynyl-3-methyl-8-piperazin-1-yl-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]purine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616909
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-But-2-ynyl-8-ethoxy-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616893
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-But-2-ynyl-3-methyl-8-(3-oxopiperazin-1-yl)purine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616915
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[(3R,5S,6R)-5-Amino-6-(2,5-difluorophenyl)oxan-3-yl]-3H-isoindol-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425066; BDBM50440347
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3,7-Dimethyl-8-(3-oxopiperazin-1-yl)purine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616914
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
CID 68845950
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425076; SCHEMBL3936121; BDBM50440339; (2R,3S,5S)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
7-But-2-ynyl-1-[[2-(hydroxymethyl)-1,3-thiazol-4-yl]methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616888
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R,3R,5R)-2-(2,5-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425082; BDBM50440335
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[4-[(7-But-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]phenyl]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616906
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425063; BDBM50440349
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2R,3S,5R)-2-(2-Chlorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425071; BDBM50440343
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Allo-Ile-Isoindoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL397070; SCHEMBL14392574; BDBM50225437; ZINC28826977; NCGC00387470-01; (2S,3R)-2-amino-1-(isoindolin-2-yl)-3-methylpentan-1-one; (2S,3R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(2S)-N-Tert-butyl-1-[(2S,4S)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1243215; BDBM50326396
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
US9051329, Example 1
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3687977; SCHEMBL14554328; US9051329, Example 4; BDBM162376
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(2R,3S,5R)-5-(3H-1,2-Benzoxazol-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425067; BDBM50440346
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-propan-2-ylpurine-2,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616913
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R)-2-[4-[[[(2S)-1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonyl]amino]methyl]phenoxy]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL183418
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
2-[4-[[[(4R)-3-[3-Amino-4-(2-fluorophenyl)butanoyl]-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]acetic acid;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL183060
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||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(2S,3R,5R)-2-(2,5-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425078; BDBM50440337
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-1-[3-Amino-4-(2-fluorophenyl)butanoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL435882
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
7-But-2-ynyl-3-methyl-8-(3-oxopiperazin-1-yl)-1-(pyridin-3-ylmethyl)purine-2,6-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616911
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S)-1-[(2S,4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1243216; BDBM50326397
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(2S)-1-[3-Amino-4-(2-fluorophenyl)butanoyl]-N-[4-(2H-tetrazol-5-yl)butyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL184346
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(1S,2R,5R)-5-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232191; SCHEMBL13938022; BDBM50210526
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(3S,5S)-3-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1243183; SCHEMBL16502392; BDBM50326394
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
1-[(4-Methoxyquinazolin-2-yl)methyl]-3,7-dimethyl-8-(3-oxopiperazin-1-yl)purine-2,6-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616916
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-[(7-But-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616905
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[[7-But-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]amino]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616897
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2R)-1-[(2S)-3-Methyl-2-(pyridine-3-carbonylamino)butanoyl]pyrrolidin-2-yl]boronic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2333024; BDBM50431227
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
US9051329, Example 8
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3687983; SCHEMBL14554317; BDBM162383
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)oxan-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425068; BDBM50440345
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(1S,2R,5R)-5-(9-Methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805696
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[8] | |||
| Compound Name |
(2R,3S,5R)-2-(4-Chloro-2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425073; BDBM50440341
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-1-[(2S)-2-Amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-4-oxobutanoyl]pyrrolidine-2-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362018; cyanopyrrolidine derivative 6; SCHEMBL14392630; BDBM12183
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL98762; SCHEMBL7062524; BDBM50146971
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(2S,3R,5S)-2-(2,5-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425077; BDBM50440338
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4-[[[(2S)-1-[3-Amino-4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]benzoic acid;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL182223
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
N-Benzyl-2-[(2S)-2-cyanopyrrolidine-1-carbonyl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2159745; BDBM50393844
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
7-But-2-ynyl-3-methyl-8-(3-oxopiperazin-1-yl)-1-(pyridin-4-ylmethyl)purine-2,6-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3616912
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S,3S,5S)-2-(2,5-Difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425080; BDBM50440336
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Methyl 2-[4-[[[(4R)-3-[3-amino-4-(2-fluorophenyl)butanoyl]-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]acetate;2,2,2-trifluoroacetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL186482
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
2-Benzyl-7-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2159749; BDBM50393842
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S,3As,6aS)-1-[(3R)-3-amino-4-(2-methylphenyl)butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330064; BDBM50098991
Click to Show/Hide
|
||||
| Activity |
IC50 = 109880 nM
|
[15] | |||
| Compound Name |
(2S,3As,6aS)-1-[(3R)-3-amino-4-(4-fluorophenyl)butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330066; BDBM50098989
Click to Show/Hide
|
||||
| Activity |
IC50 = 153700 nM
|
[15] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and pharmacological characterization of N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride (anagliptin hydrochloride salt) as a potent and selective DPP-IV inhibitor. Bioorg Med Chem. 2011 Dec 1;19(23):7221-7. | ||||
| REF 2 | Selective inhibitors of fibroblast activation protein (FAP) with a xanthine scaffold. Medchemcomm. 2014;5:1700-7. | ||||
| REF 3 | Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes. J Med Chem. 2014 Apr 24;57(8):3205-12. | ||||
| REF 4 | 2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727): a potent, orally active dipeptidyl peptidase IV inhibitor without mechanism-based inactivation of CYP3A. Bioorg Med Chem. 2011 Sep 15;19(18):5490-9. | ||||
| REF 5 | Substituted 4-carboxymethylpyroglutamic acid diamides as potent and selective inhibitors of fibroblast activation protein. J Med Chem. 2010 Sep 23;53(18):6572-83. | ||||
| REF 6 | (2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3596-600. | ||||
| REF 7 | Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: Profile of clinical candidate (2R,3S,5R)-2- (2,5-difluorophenyl)-5-(4,6-dihydropyrrolo [3,4-c]pyrazol-5-(1H)-yl)tetrahydro-2H-pyran-3-amine (23) [corrected]. Bioorg Med Chem Lett. 2013 Oct 1;23(19):5361-6. | ||||
| REF 8 | The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors. Bioorg Med Chem Lett. 2016 Jun 1;26(11):2622-6. | ||||
| REF 9 | Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. ACS Med Chem Lett. 2016 Mar 12;7(5):498-501. | ||||
| REF 10 | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin. Bioorg Med Chem Lett. 2007 Jun 15;17(12):3384-7. | ||||
| REF 11 | Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitors. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3877-9. | ||||
| REF 12 | Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells. J Med Chem. 2012 Jul 26;55(14):6306-15. | ||||
| REF 13 | Potent and selective proline derived dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5151-5. | ||||
| REF 14 | Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase. J Med Chem. 2013 May 9;56(9):3467-77. | ||||
| REF 15 | Design, synthesis and biological evaluation of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors. Eur J Med Chem. 2014 Oct 30;86:242-56. | ||||
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