Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T05409 | Target Info | |||
| Target Name | Neutral endopeptidase (MME) | ||||
| Synonyms |
Skin fibroblast elastase; SFE; Neutral endopeptidase 24.11; Neprilysin; NEP protein; Enkephalinase; EPN; Common acute lymphocytic leukemia antigen; CD10; CALLA; Atriopeptidase
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| Target Type | Clinical trial Target | ||||
| Gene Name | MME | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 58 binders) | Download | Top | |||
|---|---|---|---|---|---|
| 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
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[1] | |||
| Compound Name |
Bb-3497
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Investigative | Compound Info | ||
| Synonyms |
BB-3497; CHEMBL431210; BB 3497; 235784-88-0; 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE; (2r)-n-[(2s)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-{[formyl(hydroxy)amino]methyl}hexanamide; BB1; 1g27; (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide; AC1L4M3L; AC1Q5HZ8; SCHEMBL13754309; DTXSID80178216; BDBM50104501; BB3497; DB04368; (R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
LY-292223
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Investigative | Compound Info | ||
| Synonyms |
2-(4-Morpholinyl)-4H-1-benzopyran-4-one; 2-morpholinochromone; LY-292223; CHEMBL367315; 2-morpholino-4H-chromen-4-one; 130735-56-7; U67154; AC1L2YUR; U-67154; SCHEMBL3361567; 2-morpholin-4-ylchromen-4-one; DTXSID30156701; 2-Morpholin-4-yl-chromen-4-one; QNFWERYZJLBANZ-UHFFFAOYSA-N; BDBM50098118; 2-(4-Morpholinyl)-4H-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
RXP470.1
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Investigative | Compound Info | ||
| Synonyms |
RXP470.1; CHEMBL507420; N-[(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}propanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamine; R47; GTPL7812; BDBM50265078; (4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hydroxy)phosphoryl)-2-((3-(3''-chlorobiphenyl-4-yl)isoxazol-5-yl)methyl)propanamido)-4-carboxybutanamido)-5-oxopentanoic acid
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| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
S136492
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Investigative | Compound Info | ||
| Synonyms |
(E)-2-(2-(quinolin-2-yl)vinyl)phenol; CHEMBL127545; 2-[(E)-2-(quinolin-2-yl)ethenyl]phenol; 143816-42-6; Quininib; 2-(2-(quinolin-2-yl)vinyl)phenol; (6E)-6-[(2E)-2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one; AC1OATYA; AC1NW9KR; Cambridge id 5719593; AC1NZV89; AC1Q791J; Quininib, > SCHEMBL10325190; CHEBI:133170; MolPort-001-824-964; MolPort-000-712-889; ZINC3882963; STL044348; BDBM50001270; 2-(2-Quinolin-2-yl-vinyl)-phenol; AKOS015955311; AKOS005697868; 2-[(E)-2-(quinolin-2-yl)vinyl]phenol
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
1-(Pyrrolidin-1-yl)-2-(quinoxalin-6-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL487941; BDBM50271178
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
(2R,3S)-2-[[2-Benzyl-3-[hydroxy-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]-3-hydroxybutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1794047; BDBM50366431
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| Activity |
IC50 = 50000 nM
|
[6] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633449; BDBM50131537
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| Activity |
IC50 = 50000 nM
|
[7] | |||
| Compound Name |
(2S)-3-Hydroxy-2-[(2-methoxycarbonyl-4-methylpentanoyl)amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221959
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| Activity |
IC50 = 50118.72 nM
|
[8] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029398; BDBM50382925
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| Activity |
IC50 = 51000 nM
|
[9] | |||
| Compound Name |
{[(S)-1-Benzylcarbamoyl-4-(2-fluoro-phenyl)-but-3-ynylamino]-methyl}-phosphonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL37861; BDBM50064119; (S)-2-(Phosphonomethylamino)-5-(2-fluorophenyl)-N-benzyl-4-pentynamide
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| Activity |
IC50 = 55000 nM
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[10] | |||
| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-phenyl-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL282118; BDBM50287145
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| Activity |
IC50 ~ 60000 nM
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[6] | |||
| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-5-guanidino-pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL28215; BDBM50287146
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| Activity |
IC50 ~ 60000 nM
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[6] | |||
| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-methyl-butyric acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL24923; BDBM50287135
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| Activity |
IC50 ~ 60000 nM
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[6] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-4-phenylbutanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024266; BDBM50382514
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| Activity |
IC50 = 70000 nM
|
[11] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022226; BDBM50382519
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| Activity |
IC50 ~ 70000 nM
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[11] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-3-(4-Chlorophenyl)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022235; BDBM50382509
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| Activity |
IC50 = 70000 nM
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[11] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024268; BDBM50382516
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| Activity |
IC50 = 70000 nM
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[11] | |||
| Compound Name |
(2S)-3-Hydroxy-2-[[(3S)-3-methoxycarbonyl-5-methylhexanoyl]amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221954
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| Activity |
IC50 = 79432.82 nM
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[8] | |||
| Compound Name |
Methyl 2-(2-{N-methyl-1-[(4R)-1-(naphthalene-2-sulfonyl)-4-sulfanylpyrrolidin-2-yl]formamido}acetamido)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL177000; BDBM50159363
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| Activity |
IC50 = 81900 nM
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[3] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(Carbamoylamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633451; BDBM50131500
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| Activity |
IC50 = 90000 nM
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[7] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633447; BDBM50131539
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
(2S,4S)-4-[[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067185; BDBM50242266
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[2-[Benzyl-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024271; BDBM50382518
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
5-Chloro-2-oxo-1,2,3,4-tetrahydroquinazoline-3-acetohydroxamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL298647; BDBM50100095; 2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N-hydroxy-acetamide
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| Activity |
IC50 ~ 100000 nM
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[12] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029397; BDBM50382924
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
(2S)-5-(Carbamoylamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633452; BDBM50131499
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-4-carbamoyl-butyric acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL27868; BDBM50287133
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
(2S,4S)-4-[[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]butanoyl]pyrrolidine-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4086264; BDBM50242264
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-2-phenylacetyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024267; BDBM50382515
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022234; BDBM50382508
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(3R,5S)-5-{[(2,5-Difluorobenzyl)amino]methyl}-1-(5-propylpyrimidin-2-yl)pyrrolidine-3-thiol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194651; BDBM50159365
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
(2S,4S)-4-[[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4090635; BDBM50242274
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(4-methylphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024269; BDBM50382517
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL28153; BDBM50287149
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-3-(4-Benzoylphenyl)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2024270; BDBM50382500
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022236; BDBM50382510
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022237; BDBM50382511
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
N-(Carboxymethyl)-N-(3-Phenylpropyl)glycyl-N-Methyl-L-Histidinamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3235416; SCHEMBL12198648; BDBM50005641; Q27463133
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| Activity |
IC50 ~ 100000 nM
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[13] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2021931; BDBM50382507
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| Activity |
IC50 ~ 100000 nM
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[11] | |||
| Compound Name |
(2S)-2-[[(2S)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633453; BDBM50131498
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022238; BDBM50382512
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633448; BDBM50131538
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2,3-Dihydro-1,4-benzodioxin-5-yl (2S,4R)-4-benzoylsulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193490; BDBM50159367
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
6-Amino-2-{2-benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-hexanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL27111; BDBM50287143
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-methyl-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL27273; BDBM50287131
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2S)-2-[[(2S)-3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633454; BDBM50131497
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-(3-fluorophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022233; BDBM50382506
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(2S,4S)-4-[[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]amino]-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4078112; BDBM50242265
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(3R)-3-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022239; BDBM50382513
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
Isopropyl (2S,4R)-2-{[(2,5-difluorobenzyl)amino]methyl}-4-mercaptopyrrolidine-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192441; BDBM50159364
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Opiorphin (1-4)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029395; BDBM50382928
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(5-Chloro-3,4-dihydro-1H-2,1,3-benzothiadiazine-3-acetohydroxamic acid)2,2-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL299946; BDBM50100097; 2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2022228; BDBM50382501
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(2S)-2-[[(2S,3R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3633455; BDBM50131496
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S,4R)-4-Acetylsulfanyl-2-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-1-carboxylic acid 2,3-dihydro-benzo[1,4]dioxin-5-yl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL191879; SCHEMBL5407218; BDBM50159366
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029396; BDBM50382923
Click to Show/Hide
|
||||
| Activity |
IC50 = 130000 nM
|
[9] | |||
| Compound Name |
Opiorphin (2-5)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029394; BDBM50382927
Click to Show/Hide
|
||||
| Activity |
IC50 = 180000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Captopril
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Acediur; Aceplus; Acepress; Acepril; Alopresin; Apopril; Asisten; Capoten; Captolane; Captoprilum; Captopryl; Captoril; Captril; Cesplon; Dilabar; Garranil; Hipertil; Hypertil; Isopresol; Lopirin; Lopril; MCO; Tenosbon; Tensiomin; Tensobon; Tensoprel; Lopirin [Switzerland]; C 4042; SA 333; SQ 14225; X8Z; Apopril (TN); Capoten (TN); Captoprilum [INN-Latin]; Garranil (discontinued); L-Captopril; SQ 14,225; SQ-14225; SQ-14534; SQ-14,225; SQ-14,534; Captopril (JP15/USP/INN); Captopril [USAN:INN:BAN:JAN]; D-3-Mercapto-2-methylpropionylproline; D-2-Methyl-3-mercaptopropanoyl-L-proline; D-3-Mercapto-2-methylpropanoyl-L-proline; [2S]-1-[3-Mercapto-2-methylpropionyl]-L-proline; N-[(S)-3-Mercapto-2-methylpropionyl]-L-proline;(2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline; (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid; (S)-1-(3-Mercapto-2-methyl-1-oxo-propyl)-L-proline; (S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline; 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline; 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline; 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S); 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline; 3-Mercapto-2-methylpropionyl-proline
Click to Show/Hide
|
||||
| Activity |
IC50 = 830000 nM
|
[14] | |||
| Compound Name |
(R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-7-phenyl-[1,4]oxazepan-4-yl]-4-methyl-pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL311838; MDL-100192; BDBM50281462
Click to Show/Hide
|
||||
| Activity |
Ki = 330000 nM
|
[15] | |||
| Compound Name |
(2R)-2-[2-[[(1S)-1-Carboxy-2-hydroxyethyl]amino]-2-oxoethyl]-4-methylpentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221964
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2R)-3-Hydroxy-2-[[(3S)-3-methoxycarbonyl-5-methylhexanoyl]amino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221956
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2S)-3-Hydroxy-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221961
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2S)-3-Hydroxy-2-[[(3R)-3-methoxycarbonyl-5-methylhexanoyl]amino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221955
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2R)-3-Hydroxy-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221962
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2R)-3-Hydroxy-2-[(2-methoxycarbonyl-4-methylpentanoyl)amino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221960
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(2R)-3-Hydroxy-2-[[(3R)-3-methoxycarbonyl-5-methylhexanoyl]amino]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3221957
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Approaches towards the development of chimeric DPP4/ACE inhibitors for treating metabolic syndrome. Bioorg Med Chem Lett. 2017 Jun 1;27(11):2313-2318. | ||||
| REF 2 | Asymmetric synthesis of BB-3497--a potent peptide deformylase inhibitor. Bioorg Med Chem Lett. 2001 Oct 8;11(19):2585-8. | ||||
| REF 3 | Endothelin-converting enzyme-1 inhibition and growth of human glioblastoma cells. J Med Chem. 2005 Jan 27;48(2):483-98. | ||||
| REF 4 | Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge. Bioorg Med Chem. 2008 Oct 1;16(19):8781-94. | ||||
| REF 5 | Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2. J Med Chem. 2008 Jun 26;51(12):3378-87. | ||||
| REF 6 | Solid phase synthesis of phosphinic acid endothelin converting enzyme inhibitors. Bioorg Med Chem Lett. 1996 Jun 18;6(12):1323-6. | ||||
| REF 7 | Influence of polar side chains modifications on the dual enkephalinase inhibitory activity and conformation of human opiorphin, a pain perception related peptide. Bioorg Med Chem Lett. 2015 Nov 15;25(22):5190-3. | ||||
| REF 8 | Novel selective inhibitors of neutral endopeptidase: discovery by screening and hit-to-lead optimisation. Medchemcomm. 2012;3:469-74. | ||||
| REF 9 | Proposed Bioactive Conformations of Opiorphin, an Endogenous Dual APN/NEP Inhibitor. ACS Med Chem Lett. 2011 Nov 17;3(1):20-4. | ||||
| REF 10 | Design and synthesis of potent, selective inhibitors of endothelin-converting enzyme. J Med Chem. 1998 Apr 23;41(9):1513-23. | ||||
| REF 11 | Structure-activity relationship study of opiorphin, a human dual ectopeptidase inhibitor with antinociceptive properties. J Med Chem. 2012 Feb 9;55(3):1181-8. | ||||
| REF 12 | 2-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)- and 2-(2,2-dioxo-1,4-dihydro-2H-2lambda6-benzo[1,2,6]thiadiazin-3-yl)-N-hydroxy-acetamides as potent and selective peptide deformylase inhibitors. J Med Chem. 2001 Jun 7;44(12):1847-52. | ||||
| REF 13 | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid- hydrolysis. Eur J Med Chem. 2014 May 22;79:184-93. | ||||
| REF 14 | Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43. | ||||
| REF 15 | Synthesis of 6-amino-5-oxo-7-phenyl-1,4-oxazepines as conformationally constrained gauche (?) dipeptide mimetics. Bioorg Med Chem Lett. 1993 Feb;3(2):231-4. | ||||
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