Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10118 | Target Info | |||
| Target Name | Chymotrypsin-C (CLCR) | ||||
| Synonyms |
Caldecrin; CLCR
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|
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| Target Type | Patented-recorded Target | ||||
| Gene Name | CTRC | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 37 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Iboctadekin + rituximab
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|
Phase 1 | Compound Info | ||
| Synonyms |
Pepstatin A; 26305-03-3; Pepstatine; Ahpatinin C; UNII-V6Y2T27Q1U; MLS002222329; Iva-Val-Val-Sta-Ala-Sta-OH; V6Y2T27Q1U; CHEMBL296588; 39324-30-6; FAXGPCHRFPCXOO-LXTPJMTPSA-N; C34H63N5O9; NCGC00161670-06; Pepstatin (nonspecific); DSSTox_RID_81334; DSSTox_CID_26095; DSSTox_GSID_46095; CCRIS 3603; Pepstatina; Pepstatinum; Pepstatin (VAN); Ia Quinidine
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Flavonoid derivative 4
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|
Patented | Compound Info | ||
| Synonyms |
PMID26394986-Compound-48
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
ZD-0892
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|
Discontinued in Phase 1 | Compound Info | ||
| Synonyms |
CHEMBL55210; SCHEMBL7363455; CTK4D4091; BDBM50058391; HY-19254; 171964-73-1; CS-0014993; L-Prolinamide,N-(4-methoxybenzoyl)-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-; (S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid
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| Activity |
Ki = 200000 nM
|
[3] | |||
| Compound Name |
KRI-1314
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|
Terminated | Compound Info | ||
| Synonyms |
CHEMBL3350322; Kri-1314; CHEMBL91826; 4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyrylamino)-propionylamino]-butyric acid isopropyl ester; BDBM50012951; (2R,3S)-3-[N-[(2R)-3-(Morpholinocarbonyl)-2-[(naphthalen-1-yl)methyl]propionyl]-L-histidyl]amino-4-cyclohexyl-2-hydroxybutanoic acid isopropyl ester
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Naphthalen-2-yl-6-p-tolyl-isonicotinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL47606; SCHEMBL10918130; BDBM50111608; 2-(4-methylphenyl)-6-(2-naphthalenyl)-4-pyridinecarboxylic acid; 2-(4-methylphenyl)-6-naphthalen-2-ylpyridine-4-carboxylic acid
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
2H-Pyran-2-one, 6-chloro-5-(phenylmethyl)-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16064; 5-benzyl-6 chloropyrone; 5-Benzyl-6-chloro-pyran-2-one; CTK2I4122; DTXSID30658098; 5-Benzyl-6-chloro-2H-pyran-2-one; BDBM50025559
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| Activity |
Ki = 50000 nM
|
[4] | |||
| Compound Name |
Rose Bengal lactone
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|
Investigative | Compound Info | ||
| Synonyms |
Solvent Red 141; UNII-BIU7Q7W2SH; C.I. Solvent Red 141; BIU7Q7W2SH; Rose Bengal RB; EINECS 223-993-4; I4TCF; Rose Bengal lactone, 95%; SCHEMBL928171; CHEMBL1160160; DTXSID0048426; CTK4C7559; AKOS024319172; ZINC150338564; DB14214; MCULE-8078189818; NCGC00166255-01; DB-050774; 1-[4-(4-Methoxyphenoxy)phenyl]-1-ethanone; FT-0635160; 159R777; Q11350933
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|
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
N'1,N'2-Bis(2-Hydroxybenzylidene)Oxalohydrazide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL46666; Ethanedioic acid, bis[[(2-hydroxyphenyl)methylene]hydrazide]; BDBM50111596; STK925964; ZINC36774230; AKOS001026993; ST50770093; N''1,N''2-bis(2-hydroxybenzylidene)oxalohydrazide; N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide; N'~1~,N'~2~-bis[(1E)-(2-hydroxyphenyl)methylene]ethanedihydrazide; N'~1~,N'~2~-bis[(E)-(2-hydroxyphenyl)methylidene]ethanedihydrazide; N''~1~,N''~2~-bis[(1E)-(2-hydroxyphenyl)methylene]ethanedihydrazide
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|
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| Activity |
IC50 = 55000 nM
|
[2] | |||
| Compound Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(1R)-3-(4-tert-butylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL324207; BDBM50120295
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2R)-2-[[(1R)-3-(4-phenoxyphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL413150; BDBM50120293
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
[Tris-(2,2-dicarboxycyclopropyl)]-Buckmins model
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL412073; BDBM50111616
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|
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| Activity |
IC50 = 60000 nM
|
[2] | |||
| Compound Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2R)-2-[[(1R)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL419918; BDBM50120296
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2R)-2-[[(1R)-3-(4-propan-2-ylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL262398; BDBM50120306
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
(4S)-4-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2R)-2-[[(1R)-3-(4-cyclohexylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL108657; BDBM50120285
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|
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| Activity |
IC50 ~ 60000 nM
|
[5] | |||
| Compound Name |
6-Chloro-5-naphthalen-2-ylmethyl-pyran-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16016; BDBM50025548
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|
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| Activity |
Ki = 63000 nM
|
[4] | |||
| Compound Name |
4-[[(3R,3Ar,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]methyl]benzenecarboximidamide;acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323544
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|
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| Activity |
IC50 = 70300 nM
|
[6] | |||
| Compound Name |
2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-3-ylmethoxy)-5-methyl-phenyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL41862; SCHEMBL7440084; BDBM50070600
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|
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| Activity |
Ki = 72000 nM
|
[7] | |||
| Compound Name |
2H-Pyran-2-one, 5-phenyl-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL278453; 5-phenyl-2-pyrone; 5-Phenyl-pyran-2-one; 5-Phenyl-2H-pyran-2-one; BDBM50025546
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|
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| Activity |
Ki = 75000 nM
|
[4] | |||
| Compound Name |
3-Benzyl-6-chloro-2-pyrone
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|
Investigative | Compound Info | ||
| Synonyms |
3-benzyl-6-chloropyran-2-one; CHEMBL16433; 2H-Pyran-2-one, 6-chloro-3-(phenylmethyl)-; 3-BCP; SCHEMBL6653211; 3-Benzyl-6-chloro-pyran-2-one; CTK5F5173; DTXSID30234730; ZINC6096683; BDBM50025563
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|
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| Activity |
Ki = 76000 nM
|
[4] | |||
| Compound Name |
3,5-Dibutyl-4-hydroxy-6-(1-oxo-1-phenylhexan-2-yl)pyran-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL54748; BDBM50405196
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|
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| Activity |
Ki = 79432.82 nM
|
[8] | |||
| Compound Name |
2-(4-(6-Bromo-1-hydroxy-2-naphthylazo)phenoxy)acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50656; SCHEMBL7812766; ZINC4798867; BDBM50111609; ZINC25693009; AKOS024433694; ZINC100800690; MCULE-5029668745; [4-(6-Bromo-1-hydroxy-naphthalen-2-ylazo)-phenoxy]-acetic acid
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|
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| Activity |
IC50 = 80000 nM
|
[2] | |||
| Compound Name |
2-Chloro-benzenesulfonic acid 3-(5-guanidino-pentyloxy)-5-methyl-phenyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL287910; BDBM50070595
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|
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| Activity |
Ki = 80000 nM
|
[7] | |||
| Compound Name |
3-[((3E)-3-{[(E)-Amino(imino)methyl]hydrazono}propyl)oxy]-5-methylphenyl 2-(trifluoromethoxy)benzenesulfonate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL340276; BDBM50083957
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|
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| Activity |
Ki = 88000 nM
|
[9] | |||
| Compound Name |
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL420168; 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphthalenyl)azo)-; 1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(1-hydroxy-2-naphthalenyl)diazenyl)-; 1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-; EINECS 247-234-1; SCHEMBL4596966; DTXSID5067136; CTK1A3764; ZINC4521479; BDBM50105976; ZINC12405055; ZINC33917710; 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-hydroxy-2-naphtalenyl)azo)-; ZINC261081096; ZINC299872437; NCI60_004127; 2-hydroxy-1-(1-hydroxy-2-naphthylazo)naphthalene-4-sulfonic acid; 4-(1-Hydroxy-2-naphthylazo)-3-hydroxy-1-naphthalenesulfonic acid; 3-Hydroxy-4-((1-hydroxy-2-naphthyl)azo)naphthalene-1-sulphonic acid; 3-Hydroxy-4-(1-hydroxy-naphthalen-2-ylazo)-naphthalene-1-sulfonic acid; 1-Naphthalenesulfonicacid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-; 3-Hydroxy-4-(1-hydroxy-naphthalen-2-ylazo)-naphthalene-1-sulfonic acid anion
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|
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| Activity |
IC50 = 90000 nM
|
[2] | |||
| Compound Name |
3-(4-{[(S)-1-(2-Tert-Butoxycarbonylamino-4-carboxy-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-naphthalene-1-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170152; BDBM50068912
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|
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| Activity |
Ki = 92900 nM
|
[10] | |||
| Compound Name |
6-Chloro-3-naphthalen-1-ylmethyl-pyran-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16143; BDBM50025562
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|
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| Activity |
Ki = 93000 nM
|
[4] | |||
| Compound Name |
4-[2-(2,4-Difluoroanilino)-4-thiazolyl]pyrocatechol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL34034; ZINC2512068; BDBM50111591; AKOS008496996; 4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benzene-1,2-diol
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|
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| Activity |
IC50 = 100000 nM
|
[2] | |||
| Compound Name |
3-[[(3R,3Ar,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]methyl]benzenecarboximidamide;acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL102134
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
5-(4-{[(S)-1-(2-Tert-Butoxycarbonylamino-4-carboxy-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-thiophene-3-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL355132; BDBM50068917
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
3-(4-{[(S)-1-(2-Tert-Butoxycarbonylamino-3-carboxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL367094; BDBM50068916
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
5-[(3R,3Ar,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]pentanimidamide;acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323543
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3,6-Bis((4-bromo-2-sulphophenyl)azo)-4,5-dihydroxynaphthalene-2,7-disulphonic acid
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|
Investigative | Compound Info | ||
| Synonyms |
Bromosulfonazo III; BROMO SULFONAZO III; EINECS 240-252-0; CHEMBL1160166; CTK0I1464; CTK5I6930; ZINC150338552; 3,6-Bis(4-bromo-2-sulfophenylazo)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
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|
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| Activity |
IC50 = 110000 nM
|
[2] | |||
| Compound Name |
2H-Pyran-2-one, 6-bromo-3-(phenylmethyl)-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL279537; 3-Benzyl-6-bromo-pyran-2-one; BDBM50025560
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| Activity |
Ki = 112000 nM
|
[4] | |||
| Compound Name |
2-Butyl-2-(3,5-dibutyl-4-hydroxy-6-oxopyran-2-yl)octanal
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL53936; BDBM50405207
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| Activity |
Ki = 134896.29 nM
|
[8] | |||
| Compound Name |
2H-Pyran-2-one, 3-(phenylmethyl)-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL277772; benzylpyranone; 3-benzylpyran-2-one; 3-Benzyl-pyran-2-one; BDBM50025543
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| Activity |
Ki = 160000 nM
|
[4] | |||
| Compound Name |
[3,5-Dibutyl-2-oxo-6-(6-oxoundecan-5-yl)pyran-4-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL52356; BDBM50405198
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|
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| Activity |
Ki = 190546.07 nM
|
[8] | |||
| Compound Name |
CID 14799980
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1627394; SCHEMBL8923016; BDBM50370211
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|
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| Activity |
IC50 = 200000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 35 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-Chloro-benzenesulfonic acid 3-(3-guanidino-propoxy)-5-methyl-phenyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL291062; BDBM50070598
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|
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| Activity |
Ki > 200000 nM
|
[7] | |||
| Compound Name |
2-Chlorobenzenesulfonic acid 3-methyl-5-(1-amidinopiperidine-4-ylmethoxy)phenyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL41876; SCHEMBL7446067; BDBM50070597; 2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-4-ylmethoxy)-5-methyl-phenyl ester
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|
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| Activity |
Ki > 200000 nM
|
[7] | |||
| Compound Name |
2-Thioxo-4-oxo-5-[(Z)-2-fluoro-5-nitrobenzylidene]thiazolidine-3-acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL366853; BDBM50096591; 2-{5-[(2-Fluoro-5-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid; {5-[1-(2-Fluoro-5-nitro-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; 2-[(5Z)-5-[(2-fluoro-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
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|
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| Activity |
IC50 > 200000 nM
|
[11] | |||
| Compound Name |
Phenol, 4-[2-(3-bromophenyl)diazenyl]-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL47808; 4-(3-Bromo-phenylazo)-phenol; CTK0G7610; DTXSID80609757; Phenol, 4-[(3-bromophenyl)azo]-; BDBM50111600; 4-[2-(3-Bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
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| Activity |
IC50 = 220000 nM
|
[2] | |||
| Compound Name |
Elasnin
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|
Investigative | Compound Info | ||
| Synonyms |
3,5-Dibutyl-6-(1-butyl-2-oxoheptyl)-4-hydroxy-2H-pyran-2-one; CHEMBL54524; BRN 1265379; 3,5-dibutyl-2-hydroxy-6-(6-oxoundecan-5-yl)-4h-pyran-4-one; 5-18-03-00063 (Beilstein Handbook Reference); SCHEMBL4287894; CTK2F3059; DTXSID00987589; 2H-Pyran-2-one, 3,5-dibutyl-6-(1-butyl-2-oxoheptyl)-4-hydroxy-; BDBM50405203; 3,5-dibutyl-4-hydroxy-6-(6-oxoundecan-5-yl)pyran-2-one
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|
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| Activity |
Ki = 223872.11 nM
|
[8] | |||
| Compound Name |
3-Naphthalen-2-ylmethyl-pyran-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16202; BDBM50025551; ZINC40503690
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|
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| Activity |
Ki = 267000 nM
|
[4] | |||
| Compound Name |
2H-Pyran-2-one, 5-(phenylmethyl)-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL276542; 5-Benzyl-pyran-2-one; BDBM50025553
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|
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| Activity |
Ki = 295000 nM
|
[4] | |||
| Compound Name |
3,5-Dibutyl-4-hydroxy-6-[(E)-1-phenylprop-1-enyl]pyran-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL54583; BDBM50405200
Click to Show/Hide
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||||
| Activity |
Ki = 323593.66 nM
|
[8] | |||
| Compound Name |
3-Naphthalen-1-ylmethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL275180; BDBM50025555; ZINC40631564
Click to Show/Hide
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||||
| Activity |
Ki = 324000 nM
|
[4] | |||
| Compound Name |
{2-Oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL13684; BDBM50037109
Click to Show/Hide
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||||
| Activity |
Ki = 330000 nM
|
[12] | |||
| Compound Name |
2H-Pyran-2-one, 6-chloro-4-phenyl-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16485; SCHEMBL9322052; 6-Chloro-4-phenyl-pyran-2-one; BDBM50025544
Click to Show/Hide
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||||
| Activity |
Ki = 382000 nM
|
[4] | |||
| Compound Name |
N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1907779; BDBM50366642
Click to Show/Hide
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||||
| Activity |
Ki = 384000 nM
|
[13] | |||
| Compound Name |
3-Benzyl-5-chloromethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38372; SCHEMBL8255083; BDBM50025089
Click to Show/Hide
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||||
| Activity |
Ki = 412000 nM
|
[14] | |||
| Compound Name |
3-Benzyl-5-trifluoromethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL286842; BDBM50025088
Click to Show/Hide
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||||
| Activity |
Ki = 470000 nM
|
[14] | |||
| Compound Name |
2H-Pyran-2-one, 4-phenyl-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16638; 4-phenyl-2-pyrone; 4-phenylpyran-2-one; 4-Phenyl-pyran-2-one; SCHEMBL979755; BDBM50025545
Click to Show/Hide
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||||
| Activity |
Ki = 495000 nM
|
[4] | |||
| Compound Name |
[3,5-Dibutyl-2-(3-methyloxiran-2-yl)-6-oxopyran-4-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL52938; BDBM50405202
Click to Show/Hide
|
||||
| Activity |
Ki = 501187.23 nM
|
[8] | |||
| Compound Name |
4-Hydroxy-3-methyl-6-phenacylpyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298353; BDBM50405206; ZINC29485641
Click to Show/Hide
|
||||
| Activity |
Ki = 512861.38 nM
|
[8] | |||
| Compound Name |
4-Hydroxy-6-(2-oxo-2-phenylethyl)-2H-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL416495; 4-hydroxy-6-phenacyl-2-pyrone; CTK0J8338; DTXSID60715921; BDBM50405205; ZINC29546092; 4-Hydroxy-6-phenacyl-2H-pyran-2-one; 2H-Pyran-2-one, 4-hydroxy-6-(2-oxo-2-phenylethyl)-
Click to Show/Hide
|
||||
| Activity |
Ki = 549540.87 nM
|
[8] | |||
| Compound Name |
6-Chloro-3-naphthalen-2-ylmethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL276105; BDBM50025561
Click to Show/Hide
|
||||
| Activity |
Ki = 625000 nM
|
[4] | |||
| Compound Name |
[3,5-Dibutyl-2-oxo-6-(2-oxopropyl)pyran-4-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50396; BDBM50405194
Click to Show/Hide
|
||||
| Activity |
Ki = 660693.45 nM
|
[8] | |||
| Compound Name |
3-Benzyl-5-bromo-2-pyranone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL289814; 3-Benzyl-5-bromo-pyran-2-one; BDBM50025090
Click to Show/Hide
|
||||
| Activity |
Ki = 687000 nM
|
[14] | |||
| Compound Name |
4-Hydroxy-3,5-dimethyl-6-phenacylpyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL52697; BDBM50405195
Click to Show/Hide
|
||||
| Activity |
Ki = 691830.97 nM
|
[8] | |||
| Compound Name |
3-Fluoren-9-ylidenemethyl-piperidine
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL298518; BDBM50111586
Click to Show/Hide
|
||||
| Activity |
IC50 = 700000 nM
|
[2] | |||
| Compound Name |
[3,5-Dibutyl-2-(2-hydroxypropyl)-6-oxopyran-4-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL56016; BDBM50405199
Click to Show/Hide
|
||||
| Activity |
Ki = 707945.78 nM
|
[8] | |||
| Compound Name |
3-Ethyl-6-chloro-2-pyranone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16055; 6-Chloro-3-ethyl-pyran-2-one; BDBM50025552
Click to Show/Hide
|
||||
| Activity |
Ki = 785000 nM
|
[4] | |||
| Compound Name |
3-(4-Methoxy-benzyl)-5-trifluoromethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL35605; BDBM50025091
Click to Show/Hide
|
||||
| Activity |
Ki = 893000 nM
|
[14] | |||
| Compound Name |
3-Benzyl-6-trifluoromethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16025; BDBM50025554
Click to Show/Hide
|
||||
| Activity |
Ki = 927000 nM
|
[4] | |||
| Compound Name |
3,5-Dibutyl-4-hydroxy-6-methylpyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL300602; BDBM50405193; ZINC29489103
Click to Show/Hide
|
||||
| Activity |
Ki = 1348962.88 nM
|
[8] | |||
| Compound Name |
3-(4-Hydroxy-benzyl)-5-trifluoromethyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL35909; BDBM50025087
Click to Show/Hide
|
||||
| Activity |
Ki = 1610000 nM
|
[14] | |||
| Compound Name |
4-Hydroxy-3,5,6-trimethyl-2H-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL54204; 4-hydroxy-3,5,6-trimethylpyran-2-one; SCHEMBL12019531; CTK1E5739; DTXSID00715920; BDBM50405201; 3,5,6-Trimethyl-4-hydroxy-2H-pyran-2-one; 2H-Pyran-2-one, 4-hydroxy-3,5,6-trimethyl-; NCGC00381399-01!4-hydroxy-3,5,6-trimethylpyran-2-one
Click to Show/Hide
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||||
| Activity |
Ki = 1819700.86 nM
|
[8] | |||
| Compound Name |
3-n-Butyl-6-chloro-2-pyranone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL16006; 3-Butyl-6-chloro-pyran-2-one; BDBM50025564
Click to Show/Hide
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||||
| Activity |
Ki = 1980000 nM
|
[4] | |||
| Compound Name |
4-Hydroxy-3,6-dimethyl-2H-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
3,6-Dimethyl-4-hydroxy-2-pyrone; 4-hydroxy-3,6-dimethylpyran-2-one; CHEMBL51918; 2H-Pyran-2-one, 4-hydroxy-3,6-dimethyl-; MFCD00090424; HDMPO; ACMC-20amh7; Methyl triacetic lactone; SCHEMBL805313; CTK4J5130; KS-00003SXX; USF-2550A; DTXSID20199884; 4-Hydroxy-3,6-dimethyl-2-pyrone; ZINC5765084; 4813AE; BDBM50405197; AKOS022175651; MCULE-5746210594; 3,6-dimethyl-4-hydroxy-2H-pyran-2-one; TS-01824; 2H-Pyran-2-one,4-hydroxy-3,6-dimethyl-; DB-022130; 4-Hydroxy-3,6-dimethyl-2H-pyran-2-one #; FT-0647370; methyl?5-methoxybenzo[b]thiophene-2-carboxylate; NCGC00381413-01!4-hydroxy-3,6-dimethylpyran-2-one
Click to Show/Hide
|
||||
| Activity |
Ki = 3467368.5 nM
|
[8] | |||
| Compound Name |
4-Hydroxy-6-methyl-2-pyrone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-Hydroxy-6-methyl-4H-pyran-4-one; 4-Hydroxy-6-methyl-2H-pyran-2-one; 4-hydroxy-6-methylpyran-2-one; Triacetic acid lactone; Triacetate lactone; 2H-PYRAN-2-ONE, 4-HYDROXY-6-METHYL-; 6-Methyl-4-hydroxypyron-(2); UNII-S1S883S4EE; NSC 34625; MFCD00006641; CHEMBL54907; S1S883S4EE; 6-Methyl-4-hydroxypyran-2-one; 4-Hydroxy-6-methyl-2-pyrone, 98%; 3,5-Dihydroxysorbic acid delta-lactone; 4-Hydroxy-6-methylpyran-4-one; 6-methyl-4-hydroxy-2-pyrone; CCRIS 3600; EINECS 211-619-2; BRN 0113815; PubChem9569; 4H-Pyran-4-one, 2-hydroxy-6-methyl-; Spectrum_001904; SpecPlus_000816; Spectrum2_001978; Spectrum3_001720; Spectrum4_001907; Spectrum5_000594; 4-hydroxy-6-methylpyrone; 6-methyl-4-hydroxypyrone; ACMC-1BI0S; 4-hydroxy-6-methyl-pyrone; 4-hydroxy-6-methylpyranone; 4-hydroxy-6-methyl pyranone; BSPBio_003340; KBioGR_002500; KBioSS_002438; 4-hydoxy-6-methyl-2-pyrone; KSC356A1J; DivK1c_006912; SCHEMBL320025; SCHEMBL918518; SPECTRUM1600759; SPBio_002135; 4- hydoxy-6-methyl-2-pyrone; 4-hydroxy- 6-methyl-2-pyrone; 4-hydroxy-6 -methyl-2-pyrone; 4-hydroxy-6-methyl pyr-2-one; DTXSID1060974; CTK2F6014; CTK8C2277; KBio1_001856; KBio2_002432; KBio2_005000; KBio2_007568; KBio3_002560; KS-00000QID; 4-hydroxy-6-methyl-pyran-2-one; 6-methyl-4-hydroxy pyran-2-one; 3,5-Dihydroxysorbic acid d-lactone; ALBB-021321; NSC34625; ZINC4273393; 0884AC; ANW-35356; ANW-68127; BBL008420; BDBM50405204; CCG-39516; MFCD18820248; NSC-34625; SBB001910; STK772128; AKOS000119605; AKOS016007260; ZINC100045433; CS-W020045; LS40924; MCULE-4178961944; SDCCGMLS-0066925.P001; VZ35471; 4-HYDROXY-6-METHYL-2-PYRONONE; NCGC00095976-01; NCGC00095976-02; NCGC00178130-01; AC-27196; AK-44057; AK-80712; BR-44057; DA-17115; SC-53888; SY001948; AB0013001; DB-055039; ST4083834; CS-0061284; FT-0618665; FT-0715301; 75H105; 7H-939; C02752; M-6213; 102190-EP2281817A1; 102190-EP2301922A1; SR-05000002374; Q7839869; SR-05000002374-1; W-104713; BRD-K77202630-001-02-9; BRD-K77202630-001-03-7; F0001-1779; Z1250100716
Click to Show/Hide
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||||
| Activity |
Ki = 6309573.44 nM
|
[8] | |||
| Compound Name |
N-{2-[(2-Acetylamino-propionyl)-hydrazono]-ethyl}-benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL22745; BDBM50018173
Click to Show/Hide
|
||||
| Activity |
Ki > 8000000 nM
|
[15] | |||
| Compound Name |
3,5-Dibutyl-4-hydroxy-6-(2-oxopropyl)pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL54701; BDBM50405208
Click to Show/Hide
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||||
| Activity |
Ki = 8128305.16 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Orally potent human renin inhibitors derived from angiotensinogen transition state: design, synthesis, and mode of interaction. J Med Chem. 1990 Oct;33(10):2707-14. | ||||
| REF 2 | A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem. 2002 Apr 11;45(8):1712-22. | ||||
| REF 3 | Orally active trifluoromethyl ketone inhibitors of human leukocyte elastase. J Med Chem. 1997 Sep 26;40(20):3173-81. | ||||
| REF 4 | Structure-activity study of 6-substituted 2-pyranones as inactivators of alpha-chymotrypsin. J Med Chem. 1986 Jul;29(7):1159-63. | ||||
| REF 5 | P1 Phenethyl peptide boronic acid inhibitors of HCV NS3 protease. Bioorg Med Chem Lett. 2002 Nov 4;12(21):3199-202. | ||||
| REF 6 | 5,5-trans lactone-containing inhibitors of serine proteases: identification of a novel, acylating thrombin inhibitor. Bioorg Med Chem Lett. 1998 Nov 3;8(21):2955-60. | ||||
| REF 7 | In vitro evaluation and crystallographic analysis of a new class of selective, non-amide-based thrombin inhibitors. Bioorg Med Chem Lett. 1998 Jul 7;8(13):1595-600. | ||||
| REF 8 | Inhibition of human leukocyte elastase, porcine pancreatic elastase, and chymotrypsin by elasnin and other 4-hydroxy-2-pyrones. J Med Chem. 1985 Dec;28(12):1828-32. | ||||
| REF 9 | Amidinohydrazones as guanidine bioisosteres: application to a new class of potent, selective and orally bioavailable, non-amide-based small-molecule thrombin inhibitors. Bioorg Med Chem Lett. 2000 Jan 3;10(1):1-4. | ||||
| REF 10 | Peptidyl human heart chymase inhibitors. 2. Discovery of highly selective difluoromethylene ketone derivatives with Glu at P3 site. Bioorg Med Chem Lett. 1998 Apr 21;8(8):919-24. | ||||
| REF 11 | Arylalkylidene rhodanine with bulky and hydrophobic functional group as selective HCV NS3 protease inhibitor. Bioorg Med Chem Lett. 2001 Jan 22;11(2):91-4. | ||||
| REF 12 | Nonpeptidic inhibitors of human leukocyte elastase. 2. Design, synthesis, and in vitro activity of a series of 3-amino-6-arylopyridin-2-one trifluoromethyl ketones. J Med Chem. 1994 Sep 30;37(20):3303-12. | ||||
| REF 13 | The design and synthesis of thrombin inhibitors: analogues of MD805 containing non-polar surrogates for arginine at the P1 position. Bioorg Med Chem Lett. 2000 Jul 17;10(14):1563-6. | ||||
| REF 14 | 5-(Halomethyl)-2-pyranones as irreversible inhibitors of alpha-chymotrypsin. J Med Chem. 1986 Aug;29(8):1483-7. | ||||
| REF 15 | Acid-sensitive latent inhibitors for proteolytic enzymes: synthesis and characterization. J Med Chem. 1989 Jun;32(6):1253-9. | ||||
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