Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T68290 | Target Info | |||
| Target Name | Cathepsin S (CTSS) | ||||
| Synonyms |
Cysteine protease cathepsin S
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | CTSS | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 58 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BOCEPREVIR
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|
Approved | Compound Info | ||
| Synonyms |
Boceprevir; Victrelis; 394730-60-0; SCH 503034; EBP 520; UNII-89BT58KELH; SCH-503034; 89BT58KELH; CHEBI:68621; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Telaprevir
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Approved | Compound Info | ||
| Synonyms |
402957-28-2; VX-950; Incivek; Telaprevir (VX-950); Incivo; MP-424; VX 950; Telavic; VX-950(Telaprevir); LY-570310; UNII-655M5O3W0U; VRT-111950; CHEMBL231813; CHEBI:68595; 655M5O3W0U; S-Telaprevir; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Balicatib
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|
Discontinued in Phase 2 | Compound Info | ||
| Synonyms |
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
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|
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| Activity |
Ki = 65000 nM
|
[2] | |||
| Compound Name |
PTosyl-Glu(OtBu)-Ala-LeuVSMe
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL207016; pTosyl-Glu(OtBu)-Ala-LeuVSMe
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|
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| Activity |
IC50 = 67000 nM
|
[3] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-tert-butylphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741594; BDBM50499737
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(2R)-2-Amino-N-[(1S,2S)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL478737
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|
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
Phenylalanine derivative, 48
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL381659; BDBM20123; 2-({N-benzyl-N''-[(tert-butoxy)carbonyl]hydrazinecarbonyl}amino)acetonitrile
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| Activity |
Ki ~ 50000 nM
|
[6] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740601; BDBM50499736
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(3S)-1-Diazo-3-[(aminoacetyl)amino]-4-(4-iodophenyl)-2-butanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL450997; BDBM50270029; 2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-propyl]-acetamide
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|
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740153; BDBM50499738
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Aryl-morpholino-containing analogue, 13
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200301; SCHEMBL6185946; BDBM19858; N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide; N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpholin-4-yl)benzamide
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|
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| Activity |
IC50 = 52000 nM
|
[7] | |||
| Compound Name |
[1-((3S,4R)-2-Oxo-4-phenoxy-azetidin-3-ylcarbamoyl)-cyclohexyl]-carbamic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL64245; BDBM50129072
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|
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| Activity |
Ki = 53000 nM
|
[8] | |||
| Compound Name |
Benzyl N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2381988; BDBM50491308
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|
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| Activity |
Ki = 56000 nM
|
[9] | |||
| Compound Name |
Arylaminoethyl amide, 5q
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL425211; BDBM19563
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|
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| Activity |
Ki ~ 65000 nM
|
[10] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399359; SCHEMBL4193792; BDBM50214546
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|
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| Activity |
IC50 = 66656 nM
|
[11] | |||
| Compound Name |
N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperidin-4-yloxy-1,3-thiazol-4-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200744; BDBM50410607
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|
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| Activity |
Ki = 68000 nM
|
[12] | |||
| Compound Name |
(1R,2R)-N-[(1S)-1-Cyanoethyl]-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164680; BDBM50395222
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|
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| Activity |
IC50 ~ 70000 nM
|
[13] | |||
| Compound Name |
N-[(2S)-1-[[(1S)-1-Cyano-3-phenylpropyl]amino]-2,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL358704; BDBM50121556; Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-1,3-dimethyl-butyl]-amide
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|
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| Activity |
IC50 = 76000 nM
|
[14] | |||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL401176; SCHEMBL3814800; BDBM50214539
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|
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| Activity |
IC50 = 76938 nM
|
[11] | |||
| Compound Name |
Ac-hPhe-Leu-(D)-Ala-LeuVSMe
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL438442; BDBM50186701
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|
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| Activity |
IC50 = 77000 nM
|
[3] | |||
| Compound Name |
(1R,21S,24S)-21-Tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL599872; SCHEMBL3263999; BDBM50326055
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|
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| Activity |
IC50 = 78000 nM
|
[1] | |||
| Compound Name |
Morpholine-4-carboxylic acid (3-methyl-1-prop-2-ynylcarbamoyl-butyl)-amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL155102; BDBM50121579
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|
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| Activity |
IC50 = 97000 nM
|
[14] | |||
| Compound Name |
(2S)-2-[[2-(3,5-Dichlorophenyl)acetyl]amino]-3,3-dimethyl-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354497; BDBM50042854
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(1R,2R)-N-[(1R)-1-Cyanoethyl]-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164679; BDBM50395223
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
5-((2,3-Dimethylphenoxy)methyl)-3-methyloxazolidin-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL397973; SCHEMBL3958229; BDBM50201707; 5-[(2,3-dimethylphenoxy)methyl]-3-methyl-1,3-oxazolidin-2-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-azaspiro[3.5]nonane-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441773; BDBM50442864
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(3R,4R)-4-(2,3-Dimethylphenoxy)piperidin-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL230479; SCHEMBL3961271; BDBM50201706; trans-4-(2,3-dimethylphenoxy)-3-hydroxypiperidine
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|
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
3-[2-(3,5-Dichlorophenyl)-2-methylpropanoyl]-4-methoxy-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354496; BDBM50042855
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
N-[2-(Cyanomethylamino)-2-oxoethyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-[2-(dimethylamino)ethoxy]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354493; BDBM50042858
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
Tert-butyl (2S)-2-[(cyanomethyl)carbamoyl]pyrrolidine-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
dipeptide-derived nitrile, 14; CHEMBL200007; BDBM20093
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
(2E)-2-[(E)-1-Phenoxypropan-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180339; BDBM50400187
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|
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
(S)-Tert-Butyl (1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl)carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200150; SCHEMBL16254385; BDBM20126; phenylalanine derived propargyl, 54; ZINC13676617; AKOS034792464; MCULE-8258246873; Z1051142838; tert-butyl N-[(1S)-2-phenyl-1-(prop-2-yn-1-ylcarbamoyl)ethyl]carbamate; tert-butyl N-[(1S)-2-phenyl-1-[(prop-2-yn-1-yl)carbamoyl]ethyl]carbamate; tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]carbamate
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
Succinamide peptidomimetic, 7
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL239579; BDBM19641; (3S)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-(morpholin-4-yl)-4-oxobutanamide
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|
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| Activity |
Ki ~ 100000 nM
|
[18] | |||
| Compound Name |
Dipeptide-derived nitrile, 40
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197498; BDBM20116; tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2-phenylphenyl)ethyl]carbamate
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
Phenylalanine derivative, 37
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200743; BDBM20121; tert-butyl N-[(1S)-1-[(cyanomethyl)(methyl)carbamoyl]-2-phenylethyl]carbamate
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
(2S)-2-(3,5-Dichlorophenyl)-N-[(3S)-1-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354499; BDBM50042851
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
Phenylalanine derived allylamide, 55
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197975; SCHEMBL9826752; BDBM20127; tert-butyl N-[(1S)-2-phenyl-1-(prop-2-en-1-ylcarbamoyl)ethyl]carbamate
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
(1R,2R)-N-[(1S)-1-Cyano-2,2-dimethylpropyl]-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2164681; BDBM50395231
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
(1R,2R)-N-(1-Cyanocyclopropyl)-2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2070947; SCHEMBL8108722; BDBM50390396
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|
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| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
(3S,4R)-4-(2,3-Dimethylphenoxy)piperidin-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL441907; SCHEMBL3959125; BDBM50201704; (3S,4R)-4-(2,3-Dimethylphenoxy)-3-piperidinol; UNII-LHH887104B component ZHFIAFNZGWCLHU-WCQYABFASA-N
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
N-[2-(Cyanomethylamino)-2-oxoethyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354492; BDBM50042850
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(2E)-2-[(E)-1-Phenoxypropan-2-ylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180342; BDBM50400185
Click to Show/Hide
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Succinamide peptidomimetic, 5
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL240616; BDBM19639; (2S)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-(morpholin-4-yl)-4-oxobutanamide
Click to Show/Hide
|
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| Activity |
Ki ~ 100000 nM
|
[18] | |||
| Compound Name |
Succinamide peptidomimetic, 38
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL239781; BDBM19672
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|
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| Activity |
Ki ~ 100000 nM
|
[18] | |||
| Compound Name |
(2S)-2-[[(2S)-2-(3,5-Dichlorophenyl)-2-(ethylamino)acetyl]amino]-3,3-dimethyl-N-[2-[[(E)-3-methylsulfonylprop-2-enyl]amino]-2-oxoethyl]butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3354498; BDBM50042852
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(2E)-5-Ethyl-2-[(E)-1-phenoxypropan-2-ylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180341; BDBM50400186
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL199488; SCHEMBL6181947; BDBM50410597
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|
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| Activity |
Ki = 102000 nM
|
[12] | |||
| Compound Name |
N-[(2S)-1-[[(1S)-1-Cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL357117; BDBM50121568; Morpholine-4-carboxylic acid [1-(1-cyano-2,2-dimethyl-propylcarbamoyl)-3-methyl-butyl]-amide
Click to Show/Hide
|
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| Activity |
IC50 = 107000 nM
|
[14] | |||
| Compound Name |
(1r)-1-{[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2,2-dimethylpropyl(1S)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL186149; SCHEMBL6616610; BDBM50169491
Click to Show/Hide
|
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| Activity |
IC50 = 110000 nM
|
[20] | |||
| Compound Name |
N-[1-(Cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL199487; SCHEMBL6185586; BDBM50410601
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|
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| Activity |
Ki = 110000 nM
|
[12] | |||
| Compound Name |
Tert-butyl N-[(2S)-1-oxo-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL209766; BDBM50410975
Click to Show/Hide
|
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| Activity |
Ki = 130000 nM
|
[21] | |||
| Compound Name |
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-ethyl]-amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL356588; BDBM50121559
Click to Show/Hide
|
||||
| Activity |
IC50 = 134000 nM
|
[14] | |||
| Compound Name |
2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL411932; BDBM50129078
Click to Show/Hide
|
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| Activity |
Ki ~ 150000 nM
|
[8] | |||
| Compound Name |
Benzyl 1-((cyanomethyl)carbamoyl)cyclopropylcarbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200776; SCHEMBL6181261; Benzyl N-[1-(cyanomethylcarbamoyl)cyclopropyl]carbamate; BDBM50410599
Click to Show/Hide
|
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| Activity |
Ki ~ 150000 nM
|
[12] | |||
| Compound Name |
Benzyl N-[(2S)-1-(cyanomethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL199483; BDBM50410581
Click to Show/Hide
|
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| Activity |
Ki ~ 150000 nM
|
[12] | |||
| Compound Name |
Benzyl 1-((cyanomethyl)carbamoyl)cyclopentylcarbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372140; SCHEMBL6183581; Benzyl N-[1-(cyanomethylcarbamoyl)cyclopentyl]carbamate; BDBM50410577
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||||
| Activity |
Ki ~ 150000 nM
|
[12] | |||
| Compound Name |
Ptosyl-NeopentylAsn-Ser-LeuVSMe
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL204946; BDBM50186707
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|
||||
| Activity |
IC50 ~ 150000 nM
|
[3] | |||
| Compound Name |
Ac-Glu(OtBu)-Ala-LeuVSMe
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL383529; BDBM50186689
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|
||||
| Activity |
IC50 = 170000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 8 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
8-Mercaptocaffeine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CAFFEINE, 8-MERCAPTO-; 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3,7-trimethyl-8-thioxo-; CHEMBL4092935; NSC11258; 8-Mercapto-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione; SCHEMBL9123418; CTK4D7186; CTK8D6946; DTXSID90170761; BDBM50240932; NSC-11258; AKOS000291422; ZINC100316548; MCULE-4110501571; ST50274560; SR-01000418040; SR-01000418040-1; 1,3,7-trimethyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
1-Benzyl-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4074941; 1-benzyl-8-mercapto-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione; SCHEMBL17165784; ZINC7425816; BDBM50240931; AKOS000291420; MCULE-8278247595; VU0607699-1; F3260-0165
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
1-Ethyl-8-mercapto-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4093898; SCHEMBL17165772; BDBM50240930; AKOS024481695; MCULE-4439529883; VU0607990-1; F3260-0907; 1-ethyl-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
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|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067280; BAS 00458029; C15H15ClN4O4S; Oprea1_332725; Oprea1_378529; SCHEMBL22364491; BDBM50240928; STK834224; AKOS000578676; AKOS024304377; MCULE-5327391260; ST50230388; 7-(3-(4-CL-PHENOXY)-2-HO-PR)-8-MERCAPTO-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
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|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
Carbamic acid, [2-[(cyanomethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (s)-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
dipeptide-derived nitrile, 3; CHEMBL200635; BDBM20083; ZINC13676535; tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]ethyl]carbamate; tert-Butyl 2-[(cyanomethyl)amino]-1-methyl-2-oxoethylcarbamate #
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|
||||
| Activity |
Ki = 292000 nM
|
[6] | |||
| Compound Name |
Morpholine-4-carboxylic acid [3-methyl-1-(1-methyl-3-phenyl-propylcarbamoyl)-butyl]-amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL347747; BDBM50121580
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|
||||
| Activity |
IC50 > 339000 nM
|
[14] | |||
| Compound Name |
Tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
dipeptide-derived nitrile, 1; CHEMBL200005; BDBM20080; ZINC13676531; tert-butyl (2-((cyanomethyl)amino)-2-oxoethyl)carbamate; tert-butyl N-[2-(cyanomethylamino)-2-oxoethyl]carbamate; tert-butyl(2-((cyanomethyl)amino)-2-oxoethyl)carbamate
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|
||||
| Activity |
Ki > 1000000 nM
|
[6] | |||
| Compound Name |
Dipeptide-derived nitrile, 2
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200006; BDBM20082; ZINC13676533; benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate
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|
||||
| Activity |
Ki > 1000000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Azetidines and spiro azetidines as novel P2 units in hepatitis C virus NS3 protease inhibitors. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6325-30. | ||||
| REF 2 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J Med Chem. 2015 Sep 10;58(17):6928-37. | ||||
| REF 3 | Optimization of subsite binding to the beta5 subunit of the human 20S proteasome using vinyl sulfones and 2-keto-1,3,4-oxadiazoles: syntheses and c... J Med Chem. 2006 May 18;49(10):2953-68. | ||||
| REF 4 | Development of a potent and selective cell penetrant Legumain inhibitor. Bioorg Med Chem Lett. 2015 Dec 1;25(23):5642-5. | ||||
| REF 5 | Inhibition of the activation of multiple serine proteases with a cathepsin C inhibitor requires sustained exposure to prevent pro-enzyme processing. J Biol Chem. 2007 Jul 20;282(29):20836-46. | ||||
| REF 6 | Interaction of papain-like cysteine proteases with dipeptide-derived nitriles. J Med Chem. 2005 Dec 1;48(24):7688-707. | ||||
| REF 7 | Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional se... J Med Chem. 2005 Dec 1;48(24):7535-43. | ||||
| REF 8 | 3,4-disubstituted azetidinones as selective inhibitors of the cysteine protease cathepsin K. Exploring P2 elements for selectivity. Bioorg Med Chem Lett. 2003 Jun 16;13(12):2051-3. | ||||
| REF 9 | Identification of new peptide amides as selective cathepsin L inhibitors: the first step towards selective irreversible inhibitors?. Bioorg Med Chem Lett. 2013 May 15;23(10):2968-73. | ||||
| REF 10 | Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4979-84. | ||||
| REF 11 | Primary amides as selective inhibitors of cathepsin K. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4328-32. | ||||
| REF 12 | Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K. J Med Chem. 2005 Dec 1;48(24):7520-34. | ||||
| REF 13 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J Med Chem. 2012 Jul 26;55(14):6363-74. | ||||
| REF 14 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors. J Med Chem. 2002 Dec 5;45(25):5471-82. | ||||
| REF 15 | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett. 2015 Feb 1;25(3):438-43. | ||||
| REF 16 | Bicyclic carbamates as inhibitors of papain-like cathepsin proteases. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1254-9. | ||||
| REF 17 | Structural investigation of anti-Trypanosoma cruzi 2-iminothiazolidin-4-ones allows the identification of agents with efficacy in infected mice. J Med Chem. 2012 Dec 27;55(24):10918-36. | ||||
| REF 18 | Synthesis and SAR of succinamide peptidomimetic inhibitors of cathepsin S. Bioorg Med Chem Lett. 2007 May 15;17(10):2899-903. | ||||
| REF 19 | Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5563-8. | ||||
| REF 20 | P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg Med Chem Lett. 2005 Aug 1;15(15):3540-6. | ||||
| REF 21 | Keto-1,3,4-oxadiazoles as cathepsin K inhibitors. Bioorg Med Chem Lett. 2006 Jun 1;16(11):2909-14. | ||||
| REF 22 | Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis. J Med Chem. 2017 Sep 14;60(17):7244-7255. | ||||
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