Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92517 | Target Info | |||
| Target Name | Calpain-1 (CAPN1) | ||||
| Synonyms |
muCANP; PIG30; Micromolar-calpain; Cell proliferation-inducing gene 30 protein; Calpain-1 large subunit; Calpain-1 catalytic subunit; Calpain mu-type; Calcium-activated neutral proteinase 1; CANPL1; CANP 1
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| Target Type | Patented-recorded Target | ||||
| Gene Name | CAPN1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 20 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289843; BDBM50020426
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
(S)-N-(4-(Isopropylamino)-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL402385; BDBM50227397
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
(2R,3R)-2-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290110; BDBM50020434
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S,3R)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290113; BDBM50020437
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
[(R)-1-((2R,3S)-3-Benzyl-2-hydroxy-morpholine-4-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73869; BDBM50080208
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| Activity |
Ki = 56000 nM
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[3] | |||
| Compound Name |
(S)-N-(4-(Benzylamino)-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-6-oxo-1,6-dihydropyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL490564; BDBM50249619
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| Activity |
IC50 = 64610 nM
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[4] | |||
| Compound Name |
(S)-N-(3,4-Dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl)-3-methyl-6-oxo-1,6-dihydropyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL524152; BDBM50249633
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| Activity |
IC50 = 84750 nM
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[4] | |||
| Compound Name |
(S)-3-Methyl-N-(4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl)-6-oxo-1,6-dihydropyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL489721; BDBM50249629
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| Activity |
IC50 = 91420 nM
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[4] | |||
| Compound Name |
(S)-N-(4-(Isopropylamino)-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-6-oxo-1,6-dihydropyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL489723; BDBM50249631
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
(2R,3R)-2-N-[(2S,3R)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290109; BDBM50020433
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| Activity |
Ki ~ 100000 nM
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[1] | |||
| Compound Name |
1-Benzyl-N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL333995; BDBM50149195
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(2S,3S)-2-N-[(2S)-1-[[(2S)-5-Amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289847; BDBM50020430
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290114; BDBM50020438
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
(2S,3S)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289846; BDBM50020429
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[[(2S)-4-Methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL62988; BDBM50406631
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| Activity |
IC50 = 100000 nM
|
[6] | |||
| Compound Name |
(2R,3R)-2-N-[(2S)-1-[[(2S)-5-Amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290115; BDBM50020439
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
N-(1-Cyano-3-methylbutyl)-2-((4-fluorophenyl)sulfonamido)-3-methylbutanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL206737; BDBM50189824
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
5-Fluoro-3-((S)-3-methyl-2-phenylcarbamoyloxy-butyrylamino)-4-oxo-pentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL180263; SCHEMBL8353484; BDBM50161452
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2R,3R)-3-N-[(2S)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290107; BDBM50020431
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
(2S,3S)-2-N-[(2S,3R)-1-[(2S)-2-[[(2S,3R)-1-Amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-3-N-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]oxirane-2,3-dicarboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289842; BDBM50020425
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[(S)-1-((R)-1-Benzyl-2-ethylcarbamoyl-2-hydroxy-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL421574; BDBM50040003
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| Activity |
Ki > 350000 nM
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[9] | |||
| Compound Name |
N-[4-(Ethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL68874; BDBM50092296
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| Activity |
Ki = 800000 nM
|
[10] | |||
| Compound Name |
N-(4-Fluorophenylsulfonyl)-D-valyl-D-leucinal
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1923969; SCHEMBL6026500; BDBM50358146; ZINC13493523; (2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]butanamide
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| Activity |
IC50 = 1000000 nM
|
[11] | |||
| Compound Name |
[2-[(E)-[2-Methylpropyl-[2-[2-methylpropyl(phenylmethoxycarbonylamino)amino]-2-oxoethyl]hydrazinylidene]methyl]phenyl]boronic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL433563; BDBM50159158
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| Activity |
IC50 > 1000000 nM
|
[12] | |||
| Compound Name |
[3-[(E)-[Benzyl-[2-[2-methylpropyl(phenylmethoxycarbonylamino)amino]-2-oxoethyl]hydrazinylidene]methyl]phenyl]boronic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL179042; BDBM50159149
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| Activity |
IC50 > 1000000 nM
|
[12] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Probing of primed and unprimed sites of calpains: Design, synthesis and evaluation of epoxysuccinyl-peptide derivatives as selective inhibitors. Eur J Med Chem. 2014 Jul 23;82:274-80. | ||||
| REF 2 | Design and synthesis of 4-quinolinone 2-carboxamides as calpain inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):205-9. | ||||
| REF 3 | Hydroxyoxazolidines as alpha-aminoacetaldehye equivalents: novel inhibitors of calpain. Bioorg Med Chem Lett. 1999 Aug 16;9(16):2365-70. | ||||
| REF 4 | Design and synthesis of calpain inhibitory 6-pyridone 2-carboxamide derivatives. Eur J Med Chem. 2009 Mar;44(3):1331-4. | ||||
| REF 5 | Novel dual inhibitors of calpain and lipid peroxidation. Bioorg Med Chem Lett. 2004 Jul 16;14(14):3825-8. | ||||
| REF 6 | Ester and amide derivatives of E64c as inhibitors of platelet calpains. J Med Chem. 1992 May 29;35(11):2048-54. | ||||
| REF 7 | Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem. 2006 Jun 29;49(13):3926-32. | ||||
| REF 8 | Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P2 alpha-amino acid by a alpha-hydroxy acid. Bioorg Med Chem Lett. 2005 Mar 1;15(5):1379-83. | ||||
| REF 9 | Stereospecific synthesis of peptidyl alpha-keto amides as inhibitors of calpain. J Med Chem. 1994 Sep 2;37(18):2918-29. | ||||
| REF 10 | Synthesis and biological evaluation of novel piperidine carboxamide derived calpain inhibitors. Bioorg Med Chem Lett. 2000 Oct 2;10(19):2187-91. | ||||
| REF 11 | Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. J Med Chem. 2003 Feb 27;46(5):868-71. | ||||
| REF 12 | Retro hydrazino-azapeptoids as peptidomimetics of proteasome inhibitors. J Med Chem. 2005 Jan 13;48(1):330-4. | ||||
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