Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T40332 | Target Info | |||
Target Name | Neutrophil elastase (NE) | ||||
Synonyms |
PMN elastase; Medullasin; Human leukocyte elastase; HLE; Elastase-2; ELA2; Bone marrow serine protease
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Target Type | Clinical trial Target | ||||
Gene Name | ELANE | ||||
Biochemical Class | Peptidase | ||||
UniProt ID |
Poor Binders of This Target (in total, 129 binders) | Download | Top | |||
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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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Activity |
IC50 ~ 100000 nM
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[1] | |||
Compound Name |
Emodin
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Investigative | Compound Info | ||
Synonyms |
Emodol; Frangula emodin; Schuttgelb; Rheum emodin; Frangulic acid; Persian Berry Lake
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Activity |
IC50 = 52000 nM
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[2] | |||
Compound Name |
S 3025
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Investigative | Compound Info | ||
Synonyms |
PMSF; Phenylmethylsulfonyl fluoride; phenylmethanesulfonyl fluoride; 329-98-6; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Benzylsulphonyl fluoride; alpha-Toluenesulphonyl fluoride; Phenylmethylsulfonylfluoride; Phenylmethylsulphonyl fluoride; NSC 88499; UNII-57KD15003I; EINECS 206-350-2; BRN 2088311; CHEMBL190503; CHEBI:8102; alpha-Toluenesulfonyl fluoride; fluorobenzylsulfone; YBYRMVIVWMBXKQ-UHFFFAOYSA-N; MFCD00007424; PHENYLMETHANESULPHONYL FLUORIDE; 57KD15003I; phenyl methyl
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Activity |
IC50 = 52161.7 nM
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[3] | |||
Compound Name |
Camostat mesylate
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Phase 2/3 Trial | Compound Info | ||
Synonyms |
Camostat (mesylate); Camostat Methanesulfonate; Camostat methanesulfate; DSSTox_CID_238; DSSTox_GSID_20238; DSSTox_RID_75452; FOY 305; FOY-305; FOY305; Foipan; Foipan (TN); Foipan mesylate; NCGC00167526-01; Q-200778; UNII-451M50A1EQ; camostat mesilate; 451M50A1EQ; C21H26N4O8S; CAS-59721-29-8; CHEMBL85164
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Activity |
IC50 ~ 100000 nM
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[4] | |||
Compound Name |
[(S)-1-((2S,3S)-2-Tert-Butoxy-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL30957; SCHEMBL8086234; BDBM50121909; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-tert-butoxyazetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[(S)-1-((3R,4S)-2-Oxo-4-phenylsulfanyl-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL31788; SCHEMBL7443679; BDBM50121907; (3R)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-(phenylthio)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
3-[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-amino]-propionic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL310583; BDBM50015911; (7S)-3-Acetyloxymethyl-4-[2-carboxyethylaminocarbonyl]-7alpha-methoxycepham-3-ene 1,1-dioxide
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Activity |
IC50 ~ 50000 nM
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[6] | |||
Compound Name |
[(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-amino]-acetic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL312438; BDBM50015908; (7S)-3-Acetyloxymethyl-4-[carboxymethylaminocarbonyl]-7alpha-methoxycepham-3-ene 1,1-dioxide
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Activity |
IC50 ~ 50000 nM
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[6] | |||
Compound Name |
3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL314721; SCHEMBL7376380; BDBM50015899; 3-(Acetoxymethyl)-4-carboxy-7alpha-methoxycepham-3-ene 1,1-dioxide
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Activity |
IC50 ~ 50000 nM
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[6] | |||
Compound Name |
[(S)-1-((2S,3S)-2-Isobutoxy-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL31363; SCHEMBL7442705; BDBM50121906; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-isobutoxyazetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[(S)-1-((3R,4R)-2-Oxo-4-phenylsulfanyl-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL31272; BDBM50121903; (3R)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4beta-(phenylthio)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[(S)-1-((R)-2-Oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL281518; SCHEMBL7448502; BDBM50121913; (3R)-3alpha-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
{[(2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(2,2,2-trifluoro-acetylamino)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carbonyl]-methyl-amino}-acetic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL307622; BDBM50281056
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Activity |
Ki = 50000 nM
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[7] | |||
Compound Name |
(2S)-2-Amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL516292
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Activity |
IC50 ~ 50000 nM
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[8] | |||
Compound Name |
3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-3-phenyl-propionylamino)-4-oxo-azetidin-2-yl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL30356; BDBM50121908; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-(3-phenylpropionyloxy)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-3-phenyl-propionylamino)-4-oxo-azetidin-2-yl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL285585; BDBM50121911; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-(benzoyloxy)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
cis-(S)-2-Amino-N-((1R,2R)-1-cyano-2-phenylcyclopropyl)-3-(thiophen-2-yl)propanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1078411; BDBM50310690; (2S)-N-[[(1R)-1alpha-Cyano-2beta-phenylcyclopropane]-1-yl]-2-amino-3-(2-thienyl)propanamide
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Activity |
IC50 ~ 50000 nM
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[9] | |||
Compound Name |
[(S)-1-((2S,3S)-2-Butoxy-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL30969; SCHEMBL7441698; BDBM50121910; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-butoxyazetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[(S)-1-((2S,3R)-2-Benzenesulfonyl-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL287630; SCHEMBL7449383; BDBM50121902; (3R)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-(phenylsulfonyl)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[(S)-1-((2S,3S)-2-Benzyloxy-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL284984; BDBM50121905; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]-4alpha-(benzyloxy)azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
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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Activity |
IC50 ~ 50000 nM
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[8] | |||
Compound Name |
[(S)-1-((S)-2-Oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL281672; SCHEMBL7451896; BDBM50121914; (3S)-3beta-[N-(Benzyloxycarbonyl)-L-phenylalanylamino]azetidine-2-one
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Activity |
IC50 ~ 50000 nM
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[5] | |||
Compound Name |
[4-Oxo-6-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyran-3-yl] 2-methoxybenzoate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3093817; BDBM50444308
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Activity |
IC50 ~ 50000 nM
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[10] | |||
Compound Name |
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
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Investigative | Compound Info | ||
Synonyms |
MLS001206489; N-Benzoylpyrazole deriv., 33; CHEMBL243645; BDBM23725; HMS2828F20; ZINC206769; AKOS000571147; MCULE-8541938749; SMR000524044; ST073552; 3,4,5-trimethoxyphenyl 3,4,5-trimethylpyrazolyl ketone; 3,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-pyrazole
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Activity |
Ki = 50900 nM
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[11] | |||
Compound Name |
4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-3-propyl-azetidin-2-yloxy)-benzoic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL311124; BDBM50031664
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Activity |
Ki = 51000 nM
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[12] | |||
Compound Name |
(2S,3S)-N-[(2S)-1-[[2-(Butylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]pentanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2182020; BDBM50398084
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Activity |
IC50 = 51000 nM
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[13] | |||
Compound Name |
[4-[[2-[(E)-N-Hydroxy-C-methylcarbonimidoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3697032; SCHEMBL16868869; SCHEMBL16868873; BDBM166433; US9073833, 1
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Activity |
IC50 = 51260 nM
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[14] | |||
Compound Name |
4-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid
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Investigative | Compound Info | ||
Synonyms |
4-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acid; 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid; ML040; Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxy-; 4-(2,5-dimethylpyrrolyl)-2-hydroxybenzoic acid; CBMicro_001509; Oprea1_441093; Oprea1_541097; CHEMBL212723; SCHEMBL3504906; BDBM11985; CTK1H7721; KS-00003KQH; ZINC29121; DTXSID70953413; ALBB-032581; SMSF0010792; 6453AE; BBL012537; MFCD01874283; NSC727423; SBB007408; STK196773; Salicylic acid derivative, compound 1; AKOS000263211; chemical diversity library compound 10; CB02902; FS-2485; MCULE-2662763432; NSC-727423; ST042187; BIM-0001471.P001; BB 0254003; CS-0118708; EU-0071194; FT-0677052; Z-2173; 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoic acid; BRD-K60564032-001-01-7; 2-Hydroxy-4-(2,5-dimethyl-1H-pyrrole-1-yl)benzoic acid
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Activity |
IC50 = 51500 nM
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[15] | |||
Compound Name |
Ethyl 1-(2-methylbenzoyl)indazole-3-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1808495; BDBM50349408
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Activity |
IC50 = 52000 nM
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[16] | |||
Compound Name |
4-{5-[(Z)-(5-Cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl}benzenesulfonamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL213144; SCHEMBL14680268; HMS1679O11; STK333494; ZINC12730092; AKOS000543589; AKOS003212262; AKOS005153598
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Activity |
IC50 = 52200 nM
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[15] | |||
Compound Name |
[((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carbonyl)-methyl-amino]-acetic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL430991; BDBM50281053
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Activity |
Ki = 53000 nM
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[7] | |||
Compound Name |
(4S)-4-Methoxy-6,6-dioxo-10-oxa-6lambda6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-ene-3,11-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL309710; BDBM50015928; 2-Methoxy-3,3-dioxo-2,2a,3,4-tetrahydro-5H-6-oxa-3lambda*6*-thia-7b-aza-cyclobuta[e]indene-1,7-dione
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Activity |
IC50 = 57800 nM
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[17] | |||
Compound Name |
4'-O-Methyldiplacone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2011404; BDBM50380202
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Activity |
IC50 = 59100 nM
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[18] | |||
Compound Name |
1-Methoxy-2-methylanthracene-9,10-dione
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Investigative | Compound Info | ||
Synonyms |
CHEMBL41178; 1-Methoxy-2-methyl-anthraquinone; 1-Methoxy-2-methylanthraquinone; SCHEMBL3419749; ZINC5343165; BDBM50005911; AKOS024341735; MCULE-2021815891
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Activity |
IC50 ~ 60000 nM
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[2] | |||
Compound Name |
2-Amino-4H-3,1-benzoxazin-4-one
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Investigative | Compound Info | ||
Synonyms |
2-amino-4h-benzo[d][1,3]oxazin-4-one; CHEMBL268763; SCHEMBL2367774; CTK4C8954; DTXSID60431437; BDBM50063716; ZINC13528151; 4H-3,1-Benzoxazin-4-one,2-amino-; AKOS006287430; 2-Amino-benzo[d][1,3]oxazin-4-one; 2-AMINO-3,1-BENZOXAZIN-4-ONE
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Activity |
Ki = 63000 nM
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[19] | |||
Compound Name |
4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzonitrile
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Investigative | Compound Info | ||
Synonyms |
CHEMBL272394; BDBM50235611
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Activity |
Ki = 63500 nM
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[20] | |||
Compound Name |
{(S)-1-[(S)-1-((R)-2-{(S)-1-[(S)-1-((S)-1-Isopropylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-pyrrolidin-1-ylcarbamoyl)-ethylcarbamoyl]-ethyl}-carbamic acid benzyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL359047; BDBM50068279
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Activity |
Ki = 65000 nM
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[21] | |||
Compound Name |
3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-2-oxo-butyric acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL335981; BDBM50014744
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Activity |
Ki = 66000 nM
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[22] | |||
Compound Name |
N-[3-[(4-Fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2441058; BDBM50442072
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Activity |
Ki = 68700 nM
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[23] | |||
Compound Name |
(2S)-3',5'-Dimethoxy-4',5,7-trihydroxy-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydroflavone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL463842; BDBM50278950; J3.498.540E; (2S)-6-(3,7-Dimethyl-2,6-octadienyl)-3',5'-dimethoxy-4',5,7-trihydroxy-2,3-dihydroflavone
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Activity |
IC50 = 71300 nM
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[18] | |||
Compound Name |
2-(3-Fluoroanilino)-5H-[1,3]thiazino[5,4-b]indol-4-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL80797
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Activity |
Ki ~ 72000 nM
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[24] | |||
Compound Name |
Chembl4175745
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Investigative | Compound Info | ||
Synonyms |
SCHEMBL16105669; SCHEMBL16105673; BDBM50278901
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Activity |
IC50 = 74700 nM
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[18] | |||
Compound Name |
2-Oxo-4-phenacylsulfanyl-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL433040; BDBM50070438; N-((1R)-1-Phenylethyl)[2-oxo-4-(2-oxo-2-phenylethylthio)azetidinyl]carboxamide; 2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
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Activity |
IC50 ~ 75000 nM
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[25] | |||
Compound Name |
N-((1S)-2-Hydroxy-1-phenylethyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL36353; BDBM50070449; N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2-oxo-4-(2-pyridylmethylsulfanyl)azetidine-1-carboxamide
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Activity |
IC50 ~ 75000 nM
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[25] | |||
Compound Name |
(S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid (pyridin-4-ylmethyl)-amide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL97927; BDBM50065873
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Activity |
IC50 ~ 75000 nM
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[26] | |||
Compound Name |
(2S)-N-[(1S)-3-Methyl-1-({4-oxo-1-[N-benzylcarbamoyl]azetidin-2-yloxy}methyl)butyl]-2-[(tert-butoxy)carbonylamino]-3,3-dimethylbutanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL263736; BDBM50070442
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Activity |
IC50 ~ 75000 nM
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[25] | |||
Compound Name |
N-((1R)-1-Phenylethyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL287467; BDBM50070445; 2-oxo-N-[(1R)-1-phenylethyl]-4-(2-pyridylmethylsulfanyl)azetidine-1-carboxamide; 2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
(9-Benzyl-2,4-dioxo-1H-[1,3]oxazino[4,5-b]indol-6-yl) acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL172713; BDBM50284208; Acetic acid 9-benzyl-2,4-dioxo-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
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Activity |
IC50 = 75000 nM
|
[27] | |||
Compound Name |
N-((1R)-1-Phenylpropyl)[2-oxo-4-(2-pyridylmethylthio)azetidinyl]carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL35797; BDBM50070435; 2-oxo-N-[(1R)-1-phenylpropyl]-4-(2-pyridylmethylsulfanyl)azetidine-1-carboxamide; 2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-propyl)-amide
Click to Show/Hide
|
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(Tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL222385; SCHEMBL8351109; BDBM50157704
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[28] | |||
Compound Name |
N-((1R)-1-Phenylethyl)(2-oxo-4-phenylthioazetidinyl)carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL32486; BDBM50065878; 2-oxo-N-[(1R)-1-phenylethyl]-4-phenylsulfanyl-azetidine-1-carboxamide; 2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
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||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
N-((1R)-1-Phenylethyl)[2-oxo-4-(3-pyridylmethylthio)azetidinyl]carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL32171; BDBM50070441; 2-oxo-N-[(1R)-1-phenylethyl]-4-(3-pyridylmethylsulfanyl)azetidine-1-carboxamide; 2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
Tert-butyl 2-[4-[[4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-2-yl]sulfanylmethyl]phenyl]acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL288793; BDBM50070434; tert-Butyl 2-[4-({1-[N-((1R)-1-phenylethyl)carbamoyl]-4-oxoazetidin-2-ylthio}methyl)phenyl]acetate
Click to Show/Hide
|
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
[2-Oxo-4-(2-pyridylmethylthio)azetidinyl]-N-[2-(phenylmethoxy)ethyl]carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL36010; BDBM50070436; 2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-carboxylic acid (2-benzyloxy-ethyl)-amide; N-(2-benzyloxyethyl)-2-oxo-4-(2-pyridylmethylsulfanyl)azetidine-1-carboxamide
Click to Show/Hide
|
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
{(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-oxo-azetidin-2-ylsulfanylmethyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL35762; BDBM50070440
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
2-[(2S)-2-[[(2S)-2-(3,3-Dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-methylpentyl]sulfanyl-4-oxo-N-[(1S)-1-phenylpropyl]azetidine-1-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL35353; BDBM50070439
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-1-phenyl-ethylcarbamoyl)-azetidin-2-yloxymethyl]-butylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL285920; BDBM50070443
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
2-Oxo-4-phenethylsulfanyl-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL286322; BDBM50070437; N-((1R)-1-Phenylethyl)[2-oxo-4-(2-phenylethylthio)azetidinyl]carboxamide; 2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
|
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-1-phenyl-ethylcarbamoyl)-azetidin-2-yloxymethyl]-butylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL32166; BDBM50070446
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
2-Benzylsulfanyl-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL32918; BDBM50070448; N-((1R)-1-Phenylethyl)[2-oxo-4-(phenylmethylthio)azetidinyl]carboxamide; 2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
|
||||
Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
N-((1R)-1-Phenylethyl)[2-oxo-4-(4-pyridylmethylthio)azetidinyl]carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL32559; BDBM50070447; 2-oxo-N-[(1R)-1-phenylethyl]-4-(4-pyridylmethylsulfanyl)azetidine-1-carboxamide; 2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-carboxylic acid ((R)-1-phenyl-ethyl)-amide
Click to Show/Hide
|
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Activity |
IC50 ~ 75000 nM
|
[25] | |||
Compound Name |
2-Chloro-5-[[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxoimidazol-1-yl]sulfamoyl]benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL213158
Click to Show/Hide
|
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Activity |
IC50 = 75800 nM
|
[15] | |||
Compound Name |
(3R,4S)-1-[(R)-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methyl]-3-methoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL313838; BDBM50281087
Click to Show/Hide
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Activity |
IC50 = 76000 nM
|
[29] | |||
Compound Name |
2-(4-Methylanilino)-5H-[1,3]thiazino[5,4-b]indol-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL81357
Click to Show/Hide
|
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Activity |
Ki ~ 78000 nM
|
[24] | |||
Compound Name |
1-(4-Chlorophenyl)-3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]urea
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
Oprea1_395949; Oprea1_567061; MLS001205422; ARONIS020373; CHEMBL212852; SCHEMBL5407138; BDBM11983; HMS2847K19; ZINC671822; KS-00004C3X; CCG-20424; chemical diversity library compound 8; STK081817; AKOS000487545; MCULE-3893580944; SMR000515905; ST040452; AN-329/40252290; SR-01000493614; SR-01000493614-1; 3-(4-chlorophenyl)-1-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}urea
Click to Show/Hide
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Activity |
IC50 = 78300 nM
|
[15] | |||
Compound Name |
Adamantane-1-carboxylic acid 6-octadec-9-enoyloxymethyl-4-oxo-4H-pyran-3-yl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL9617; BDBM50023565
Click to Show/Hide
|
||||
Activity |
IC50 = 80000 nM
|
[30] | |||
Compound Name |
((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(1-methyl-1H-imidazole-2-carbonyl)-propylcarbamoyl]-pyrrolidine-1-carbonyl}-propyl)-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL169750; BDBM50036050
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|
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Activity |
Ki = 80000 nM
|
[31] | |||
Compound Name |
(5Z)-5-[(2,4-Dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL378575; BDBM11980; BHT102866; chemical diversity library compound 5; AKOS027461626; ST003272; 2-Thioxo-5-[(Z)-2,4-dihydroxybenzylidene]imidazolidine-4-one; 5-[(2,4-dihydroxyphenyl)methylene]-2-thioxo-1,3-diazolidin-4-one
Click to Show/Hide
|
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Activity |
IC50 = 84800 nM
|
[15] | |||
Compound Name |
6-(3,5-Difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
compound 33 [PMID: 19908842]; CHEMBL578159; MLS002471784; GTPL8874; SCHEMBL3346407; HMS2213P07; HMS3348G08; BDBM50303436; NCGC00182115-01; NCGC00182115-02; SMR001395198; Q27076570; 9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-9H-purine-2-carbonitrile
Click to Show/Hide
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Activity |
IC50 = 85113.8 nM
|
[32] | |||
Compound Name |
((S)-1-{(S)-2-[(S)-1-(3-Ethoxy-pyridine-2-carbonyl)-2-methyl-propylcarbamoyl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL166598; BDBM50036048
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|
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Activity |
Ki = 87000 nM
|
[33] | |||
Compound Name |
2-(2-Fluoroanilino)-5H-[1,3]thiazino[5,4-b]indol-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL78408
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|
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Activity |
Ki ~ 88000 nM
|
[24] | |||
Compound Name |
2-Chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL385899
Click to Show/Hide
|
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Activity |
IC50 = 89800 nM
|
[15] | |||
Compound Name |
[2,4-Dioxo-9-(2-phenylethyl)-1H-[1,3]oxazino[4,5-b]indol-6-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL174436; BDBM50284214; Acetic acid 2,4-dioxo-9-phenethyl-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
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Activity |
IC50 = 92000 nM
|
[27] | |||
Compound Name |
Elasnin
Click to Show/Hide
|
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
Click to Show/Hide
|
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Activity |
Ki = 93325.43 nM
|
[34] | |||
Compound Name |
(3S,4S)-1,4-Diacetyl-3-methoxy-azetidin-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL310133; BDBM50281092
Click to Show/Hide
|
||||
Activity |
IC50 = 94000 nM
|
[29] | |||
Compound Name |
4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-methyl]-piperidin-3-yl}-benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL309326; BDBM50065160
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|
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Activity |
Ki = 95000 nM
|
[35] | |||
Compound Name |
3,5-Dibutyl-4-hydroxy-6-(1-oxo-1-phenylhexan-2-yl)pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL54748; BDBM50405196
Click to Show/Hide
|
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Activity |
Ki = 95499.26 nM
|
[34] | |||
Compound Name |
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
MLS000773447; CHEMBL1544697; CTK7J5830; HMS2732B17; ZINC3256215; AKOS034444426; MCULE-2814884016; NE60210; SMR000364153; EN300-08178; Z55180052
Click to Show/Hide
|
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-[5-(2-Methyl-furan-3-yl)-4-(1-phenyl-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenethyl-acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
SMR000005685; MLS000032636; MLS002537469; CHEMBL1420158; HMS2345O03; AKOS000679119; AKOS024316373; MCULE-4474664170
Click to Show/Hide
|
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-(2,3,4,5,6-Pentafluorophenyl)-4,5,6,7-tetrahydro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL503392; BDBM50244754
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|
||||
Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
Tert-butyl (2E)-2-[(5S,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-2,4-dithia-1-azabicyclo[3.2.0]heptan-3-ylidene]acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL311390; BDBM50281008
Click to Show/Hide
|
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Activity |
Ki ~ 100000 nM
|
[38] | |||
Compound Name |
2-[4-(4-Methoxyphenyl)-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-ylthio]acetic a cid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219660; ZINC924657; AKOS000737963; MCULE-9379978821; ST50336136; 2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Click to Show/Hide
|
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
Tomentin D
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2387714; BDBM50278918
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|
||||
Activity |
IC50 ~ 100000 nM
|
[18] | |||
Compound Name |
E-6-O-p-Feruloyl scandoside methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL592955; 6-[(4-Hydroxy-3-methoxy-cis-cinnamoyl)oxy]scandoside methyl ester; BDBM50305813
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[39] | |||
Compound Name |
2-(6-Bromopyridin-2-yl)-4,5,6,7-tetrahydro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL459683; BDBM50244704
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
4,5-Dimethyl-2-(2,3,5,6-tetrafluoropyridin-4-yl)-isothiazol-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL512758; BDBM50244752
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
(3As,6R)-6-Allyl-4-(naphthalene-1-sulfonyl)-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL127085; BDBM50067000
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|
||||
Activity |
IC50 ~ 100000 nM
|
[40] | |||
Compound Name |
4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-butyrylamino}-ethyl)-3-chloro-benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL326818; BDBM50122891
Click to Show/Hide
|
||||
Activity |
Ki ~ 100000 nM
|
[41] | |||
Compound Name |
(5-Hydroxy-4-oxo-4h-pyran-2-yl)methyl hexadecanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL9977; NSC10217; CTK4H1733; DTXSID00955642; BDBM50023534; NSC-10217; ZINC42765174; AKOS024429006; MCULE-9442526081; (5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl palmitate; Hexadecanoic acid 5-hydroxy-4-oxo-4H-pyran-2-ylmethyl ester; Hexadecanoic acid,(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 100000 nM
|
[30] | |||
Compound Name |
4-((R)-1-((R)-6-(5-Chloro-2-methoxybenzyl)-2,5-dioxo-1,4-diazepane-4-carboxamido)propyl)-2-aminobenzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL245930; BDBM2228; SCHEMBL1185341; BDBM50210730; US8507714, 178A
Click to Show/Hide
|
||||
Activity |
IC50 = 100000 nM
|
[42] | |||
Compound Name |
(4-Carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate;methanesulfonic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
ONO 3403; ONO-3403; CHEMBL85136; ONO3403; SCHEMBL1650235
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[4] | |||
Compound Name |
4-(4-Guanidinobenzoyloxy)phenylacetic acid
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|
Investigative | Compound Info | ||
Synonyms |
Foy 251; 4-GBCE (methanesulfonate); 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt; CHEMBL433135; Foy-251; {4-[(4-carbamimidamidobenzoyl)oxy]phenyl}acetic acid methanesulfonate(1:1); FOY 251Camostat metabolite; SCHEMBL1649708; SCHEMBL11417275; CTK8D7311; DTXSID20991365; HY-19727A; CS-0016501; FT-0668867
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[4] | |||
Compound Name |
4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mercapto-ethylcarbamoyl}-3-methyl-butylcarbamoyl)-4-isobutoxycarbonylamino-butyric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL117815; BDBM50122882
Click to Show/Hide
|
||||
Activity |
Ki ~ 100000 nM
|
[41] | |||
Compound Name |
2-(6-Chloropyridin-2-yl)-4,5,6,7-tetrahydro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL513281; BDBM50244703; 2-(6-Chloro-2-pyridyl)-4,5,6,7-tetrahydro-1,2-benzoisothiazole-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
Benzyl 2-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219671
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
1,1-Dioxo-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,2-benzothiazol-3-one;perchloric acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL512569
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
N1-(3,4-Dimethoxyphenethyl)-2-phenyl-2-(2-pyridylthio)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
NSC332461; Oprea1_194438; MLS000861189; CHEMBL1871624; HMS2801D22; CCG-1543; MCULE-6842784530; NSC-332461; SMR000459973
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
Methyl 2-{[2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetyl]amino}-3-(benzylsulfanyl)propanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219669; STK779698; AKOS001746556; MCULE-1445834361; methyl N-[(1H-benzimidazol-2-ylsulfanyl)acetyl]-S-benzylcysteinate
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-[4-(4-Methoxyphenyl)-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-ylthio]acetamid e
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219659; ZINC924656; AKOS000737962; MCULE-4491900237; ST50336135
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-[(1R)-1-[[(6R)-6-[(5-Chloro-2-methoxyphenyl)methyl]-3,7-dioxo-1,4-diazepane-1-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2397009; BDBM50436399
Click to Show/Hide
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||||
Activity |
IC50 ~ 100000 nM
|
[42] | |||
Compound Name |
Tert-butyl (2E)-2-[(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptan-3-ylidene]acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL75220; BDBM50281007
Click to Show/Hide
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Activity |
Ki ~ 100000 nM
|
[38] | |||
Compound Name |
Cambridge id 7076131
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219665; ZINC1163275
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
6-O-Z-p-Methoxycinnamoyl scandoside methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL501132; BDBM50305814; Z-6-O-p-methoxycinnamoyl scandoside methyl ester
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||||
Activity |
IC50 ~ 100000 nM
|
[39] | |||
Compound Name |
2-[[4-(4-Methylphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219661
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-[[(E)-3-[4-(4-Carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-prop-2-enylamino]acetic acid;methanesulfonic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL85154; SCHEMBL5574445
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[4] | |||
Compound Name |
6-O-E-Pcoumaroyl scandoside methyl ester
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL506966; BDBM50305812; E-6-O-p-coumaroyl scandoside methyl ester
Click to Show/Hide
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||||
Activity |
IC50 ~ 100000 nM
|
[39] | |||
Compound Name |
CID 57671050
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2397008; SCHEMBL1185867; BDBM50436400
Click to Show/Hide
|
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Activity |
IC50 ~ 100000 nM
|
[42] | |||
Compound Name |
12-Phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219677; STK270573; AKOS003386487
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
C19H17N5OS3
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3219676; ZINC2394179; STK558294; AKOS005484124; MCULE-3585312308
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-[[5-(4-Chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3219664; ZINC12878838; AKOS000762038; SR-01000349182; SR-01000349182-1
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|
||||
Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
Chembl4168536
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Investigative | Compound Info | ||
Synonyms |
BDBM50278922
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Activity |
IC50 ~ 100000 nM
|
[18] | |||
Compound Name |
2-(3,5-Difluoropyridin-2-yl)-4,5,6,7-tetrahydro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL459684; BDBM50244705
Click to Show/Hide
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Activity |
IC50 ~ 100000 nM
|
[37] | |||
Compound Name |
N-Benzyl-2-(4-benzyl-5-cyclopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
Oprea1_411634; MLS000067823; CHEMBL1880799; HMS2371N20; ZINC1364559; AKOS000696851; MCULE-2232767305; SMR000122352; SR-01000338790; SR-01000338790-1
Click to Show/Hide
|
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Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
6-O-Z-Pcoumaroyl scandoside methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL499411; BDBM50305816; Z-6-O-p-coumaroyl scandoside methyl ester
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[39] | |||
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
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL599872; SCHEMBL3263999; BDBM50326055
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|
||||
Activity |
IC50 ~ 100000 nM
|
[1] | |||
Compound Name |
Tomentin B
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2387712; BDBM50278949
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Activity |
IC50 ~ 100000 nM
|
[18] | |||
Compound Name |
2-(4,5-Dibenzyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
MLS000527426; SMR000117900; Oprea1_052048; Oprea1_346473; MLS002536092; CHEMBL1361841; BDBM94211; cid_1170184; HMS1679I20; HMS2284O24; ZINC925166; AKOS000747993; MCULE-3312569031; BRD-K09410710-001-07-3; 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide; 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide; 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide
Click to Show/Hide
|
||||
Activity |
IC50 ~ 100000 nM
|
[36] | |||
Compound Name |
2-(4-Fluoroanilino)-5H-[1,3]thiazino[5,4-b]indol-4-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL79139
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Activity |
Ki ~ 104000 nM
|
[24] | |||
Compound Name |
(R)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((R)-1-benzylcarbamoyl-butylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2370189; BDBM50071967
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Activity |
IC50 = 120000 nM
|
[43] | |||
Compound Name |
[4-(2,5-Dimethyl-pyrrol-1-yl)-phenyl]-acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetic acid; [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid; Benzeneacetic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-; 2-(4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetic acid; 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid; Interchim compound 58; CBMicro_005721; ChemDiv2_000574; Oprea1_430537; Oprea1_575327; CHEMBL209974; BDBM11996; CTK0I6316; DTXSID40354236; HMS1370K02; ZINC244546; [4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-ACETIC ACID; ALBB-033052; SMSF0010529; 8620AD; MFCD01874280; STK095503; AKOS000142329; CB07852; MCULE-5377071735; NE11987; BS-16752; BIM-0005448.P001; BB 0217844; ST50008602; EN300-51017; 2-[4-(2,5-dimethylpyrrolyl)phenyl]acetic acid; N-(4-Carboxymethene)phenyl-2,5-dimethylpyrrole; AG-690/13508196; SR-01000430218; SR-01000430218-1; 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-phenyl acetic acid; BRD-K22150193-001-01-7; [4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid, AldrichCPR
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Activity |
IC50 = 124900 nM
|
[15] | |||
Compound Name |
(2S)-1-[(2S)-3-Methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-N-(3,3,4,4,4-pentafluoro-2-oxobutyl)pyrrolidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL307227; BDBM50035534
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Activity |
Ki = 150000 nM
|
[44] | |||
Compound Name |
(4R)-4-[[(2S)-2-Acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[pentyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
Azapeptide-based compound 45; BDBM3904; CHEMBL3301635; DTXSID50349310
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|
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Activity |
IC50 = 151000 nM
|
[45] | |||
Compound Name |
2-Butyl-2-(3,5-dibutyl-4-hydroxy-6-oxopyran-2-yl)octanal
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL53936; BDBM50405207
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Activity |
Ki = 151356.12 nM
|
[34] | |||
Compound Name |
4-Hydroxy-6-undecyl-1H-pyridin-2-one
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL13276; BDBM50025857; ZINC43322526
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|
||||
Activity |
IC50 = 153000 nM
|
[46] | |||
Compound Name |
[4-[[2-[(E)-N-(3-Hydroxypropoxy)-C-methylcarbonimidoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3697036; SCHEMBL16868884; SCHEMBL16868886; BDBM166440; US9073833, 8
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Activity |
IC50 = 158800 nM
|
[14] | |||
Compound Name |
2-Chloro-5-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid
Click to Show/Hide
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Investigative | Compound Info | ||
Synonyms |
2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid; 2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoic acid; 5-(2,5-dimethylpyrrolyl)-2-chlorobenzoic acid; Interchim compound 57; CBMicro_048282; Oprea1_496585; Oprea1_520061; CHEMBL212406; SCHEMBL13430836; BDBM11995; CTK7I6788; ZINC266941; BBL019698; MFCD01125265; SBB004489; STK193011; AKOS000301073; CCG-106256; MCULE-1086422236; BIM-0048142.P001; BB 0217848; ST50004466; T8998; EN300-25540; N-(3-Carboxy-4-chloro)phenyl-2,5-dimethylpyrrole; SR-01000430216; SR-01000430216-1; Z57131671; 2-Chloro-5-(2,5-dimethyl-1H-pyrrol-1 -yl)benzoic acid
Click to Show/Hide
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Activity |
IC50 = 160200 nM
|
[15] | |||
Compound Name |
(4R)-4-[[(2S)-2-Acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-2-[[methyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
Azapeptide-based compound 42; BDBM3901; CHEMBL3301637; DTXSID20349307
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Activity |
IC50 = 168000 nM
|
[45] | |||
Compound Name |
(S)-N1-(1-(Benzo[d]oxazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL131909; SCHEMBL6560446; BDBM50061512
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Activity |
IC50 = 183000 nM
|
[47] | |||
Compound Name |
Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser
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Investigative | Compound Info | ||
Synonyms |
CHEMBL414810; BDBM50089094
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Activity |
Ki = 190000 nM
|
[48] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 61 non binders) | Download | Top | |||
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Compound Name |
(2S,3S)-2-Acetamido-N-[(1R)-1-[[3-(butylamino)-3-oxopropyl]-dihydroxysilyl]-3-methylbutyl]-3-methylpentanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2182015; BDBM50398087
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|
||||
Activity |
IC50 > 200000 nM
|
[13] | |||
Compound Name |
(2S,3S)-N-[(2S)-1-[[2-(Butylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2182022; BDBM50398082
Click to Show/Hide
|
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Activity |
IC50 > 200000 nM
|
[13] | |||
Compound Name |
(2S,3S)-2-Acetamido-N-[(2S)-1-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2182021; BDBM50398083
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|
||||
Activity |
IC50 > 200000 nM
|
[13] | |||
Compound Name |
Benzhydryl (7E)-3-(acetyloxymethyl)-7-(1-bromo-2-methoxy-2-oxoethylidene)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL323682; BDBM50060371
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Activity |
IC50 = 210000 nM
|
[49] | |||
Compound Name |
N-[3-[(2-Fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2441055; BDBM50442071
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Activity |
Ki > 250000 nM
|
[23] | |||
Compound Name |
N-[3-[(3,5-Difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2441054; BDBM50442070
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|
||||
Activity |
Ki > 250000 nM
|
[23] | |||
Compound Name |
N-[3-[(3,4-Dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2441037; BDBM50442069
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|
||||
Activity |
Ki > 250000 nM
|
[23] | |||
Compound Name |
3-Acetoxymethyl-7-dibromomethylene-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL116388; BDBM50060355
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|
||||
Activity |
IC50 = 260000 nM
|
[49] | |||
Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-6-(Adamantane-1-carbonylamino)-2-[[(2S,3R)-2-(benzylamino)-3-methylpentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL1790149; BDBM50366594
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|
||||
Activity |
Ki = 269700 nM
|
[50] | |||
Compound Name |
Met-Phe-Leu-Glu-Ala-Ile-Pro-Met
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL278549; BDBM50089096; ent-Met-Phe-Leu-Glu-Ala-Ile-Pro-Met
Click to Show/Hide
|
||||
Activity |
Ki = 270000 nM
|
[48] | |||
Compound Name |
(S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL324743; BDBM50060370
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|
||||
Activity |
IC50 = 280000 nM
|
[49] | |||
Compound Name |
[3,5-Dibutyl-2-oxo-6-(2-oxopropyl)pyran-4-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL50396; BDBM50405194
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|
||||
Activity |
Ki = 288403.15 nM
|
[34] | |||
Compound Name |
4-((2S,3S)-3-Ethyl-4-oxo-azetidin-2-yloxy)-benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL349799; BDBM50280496
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|
||||
Activity |
Ki = 290000 nM
|
[51] | |||
Compound Name |
[2,4-Dioxo-9-(pyridin-2-ylmethyl)-1H-[1,3]oxazino[4,5-b]indol-6-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL177108; BDBM50284211; Acetic acid 2,4-dioxo-9-pyridin-2-ylmethyl-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
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||||
Activity |
IC50 = 292000 nM
|
[27] | |||
Compound Name |
(S)-N1-(1-(Benzo[d]thiazol-2-yl)-1-oxopropan-2-yl)-2-((S)-2-(3,3-dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethylsuccinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL133803; SCHEMBL6558323; BDBM50061510
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-N1-((S)-1-Benzyloxy-2-oxo-azetidin-3-yl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL131760; BDBM50061504
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(4-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL133638; SCHEMBL6559638; BDBM50061511
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(5-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL133854; SCHEMBL6559309; BDBM50061509
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-(3,3,4,4,4-pentafluoro-1-methyl-2-oxo-butyl)-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL134167; SCHEMBL6559675; BDBM50061518
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(6-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL424452; SCHEMBL6560414; BDBM50061528
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
e-64
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
Proteinase inhibitor E 64; UNII-R76F7856MV; CHEMBL374508; R76F7856MV; Thiol protease inhibitor; E 64 (proteinase inhibitor); BRN 1405664; MFCD00080261; 5-18-07-00006 (Beilstein Handbook Reference); SCHEMBL4740187; CTK8C4337; EX-A2284; ANW-71599; BDBM50157741; ZINC13493525; (L-3-TRANS-CARBOXYOXIRANE-2-CARBONYL)-L-LEUCYLAGMATINE HEMIHYDRATE; AKOS016007415; CCG-207844; CCG-208198; CS-4140; NCGC00163544-01; HY-15282; SC-98492; A13257; C01341; E-0010; Q5321373; trans-epoxysuccinyl-l-leucylamido-(4-guanidino)butane; (L-3-TRANS-CARBOXYOXIRANE-2-CARBONYL)-L-LEUCYLAGMA
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[52] | |||
Compound Name |
(S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-(7-methyl-benzoxazol-2-yl)-2-oxo-ethyl]-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL134131; SCHEMBL6559677; BDBM50061497
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-N1-((S)-3-Benzylcarbamoyl-3,3-difluoro-1-methyl-2-oxo-propyl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL335309; BDBM50061530
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
1-[[(2S)-4-(Dimethylamino)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]amino]-4-oxobutanoyl]amino]ethyl-(diphenoxymethyl)-oxophosphanium
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL334303; BDBM50061516
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-((S)-2-(3,3-Dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethyl-N1-(1-(oxazolo[4,5-b]pyridin-2-yl)-1-oxopropan-2-yl)succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL133016; SCHEMBL6558957; BDBM50061500
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-2-{[(2S,4R)-1-((S)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-2-cyclohexyl-acetylamino}-3-methyl-butyryl)-4-(naphthalen-2-ylmethoxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL432156; BDBM50093010; Ac-D-CyclohexylGly-V-Naphthenylmethoxypro-Nva-OH; Ac-Asp-D-Glu-Cyclohexylglycine-Val-[(4R)-naphthenylmethoxyproline]-Norvaline-OH; Ac-L-Asp-D-Glu-[(S)-2-Cyclohexyl-Gly-]-L-Val-4beta-(2-naphthylmethoxy)-L-Pro-L-Nva-OH
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[53] | |||
Compound Name |
(S)-2-((S)-2-(3,3-Dimethylbutanamido)-3,3-dimethylbutanamido)-N4,N4-dimethyl-N1-(4,4,4-trifluoro-3-oxobutan-2-yl)succinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2370698; BDBM50061498
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
(S)-N1-(2-Benzylcarbamoyl-1-methyl-2-oxoethyl)-2-[(S)-2-(3,3-dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethylsuccinamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL422440; BDBM50061503
Click to Show/Hide
|
||||
Activity |
IC50 > 300000 nM
|
[47] | |||
Compound Name |
3-({1-[2-(2-Tert-Butoxycarbonylamino-propionylamino)-propionyl]-pyrrolidine-2-carbonyl}-amino)-2,2-difluoro-4-methyl-pentanoic acid ethyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL20397; BDBM50280126
Click to Show/Hide
|
||||
Activity |
Ki > 300000 nM
|
[54] | |||
Compound Name |
[2,4-Dioxo-9-(3-phenylpropyl)-1H-[1,3]oxazino[4,5-b]indol-6-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL172608; BDBM50284202; Acetic acid 2,4-dioxo-9-(3-phenyl-propyl)-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 305000 nM
|
[27] | |||
Compound Name |
(R)-3-Methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL307886; SCHEMBL10555645; BDBM50281010; benzyl (5R)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Click to Show/Hide
|
||||
Activity |
Ki = 310000 nM
|
[55] | |||
Compound Name |
L-N-(Imidazol-1-ylcarbonyl)norvaline methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL306418; SCHEMBL10402927; BDBM50025846; methyl (2S)-2-(imidazole-1-carbonylamino)pentanoate; 2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid methyl ester
Click to Show/Hide
|
||||
Activity |
Ki = 320000 nM
|
[56] | |||
Compound Name |
[4-[[2-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3398151; SCHEMBL16868872; SCHEMBL16868875; BDBM166437; US9073833, 5
Click to Show/Hide
|
||||
Activity |
IC50 = 323890 nM
|
[14] | |||
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 = 338844.16 nM
|
[34] | |||
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 = 346736.85 nM
|
[34] | |||
Compound Name |
3,5-Dibutyl-4-hydroxy-6-[(E)-1-phenylprop-1-enyl]pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL54583; BDBM50405200
Click to Show/Hide
|
||||
Activity |
Ki = 363078.05 nM
|
[34] | |||
Compound Name |
C(C(C)(C)C)(=O)OC1=CC=C(C=C1)S(NC1=C(C=CC=C1)/C(/C)=N/OC)(=O)=O
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3398152; SCHEMBL16868874; BDBM166438; US9073833, 6
Click to Show/Hide
|
||||
Activity |
IC50 = 367180 nM
|
[14] | |||
Compound Name |
[4-[[2-[(E)-N-Hydroxy-C-propylcarbonimidoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3697034; SCHEMBL16868880; BDBM166435; US9073833, 3
Click to Show/Hide
|
||||
Activity |
IC50 = 367500 nM
|
[14] | |||
Compound Name |
Benzhydryl (7E)-3-(acetyloxymethyl)-7-(bromomethylidene)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL114010; BDBM50060337
Click to Show/Hide
|
||||
Activity |
IC50 = 390000 nM
|
[49] | |||
Compound Name |
[4-[[2-[(E)-Hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3697035; SCHEMBL16868864; SCHEMBL16868868; BDBM166436; US9073833, 4
Click to Show/Hide
|
||||
Activity |
IC50 = 394440 nM
|
[14] | |||
Compound Name |
4-Hydroxy-6-nonyl-pyran-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL7706; 4-hydroxy-6-nonylpyran-2-one; SCHEMBL6905774; 4-Hydroxy-6-nonyl-2H-pyran-2-one; BDBM50024657; ZINC42764357
Click to Show/Hide
|
||||
Activity |
Ki = 400000 nM
|
[57] | |||
Compound Name |
4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-methyl]-pyrrolidin-3-yl}-benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL432547; BDBM50065149
Click to Show/Hide
|
||||
Activity |
Ki = 400000 nM
|
[35] | |||
Compound Name |
(9-Cyclohexyl-2,4-dioxo-1H-[1,3]oxazino[4,5-b]indol-6-yl) acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL173030; BDBM50284216; Acetic acid 9-cyclohexyl-2,4-dioxo-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 454000 nM
|
[27] | |||
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
|
||||
Activity |
Ki = 489778.82 nM
|
[34] | |||
Compound Name |
Benzhydryl (7Z)-3-(acetyloxymethyl)-7-(cyanomethylidene)-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL117113; BDBM50060352
Click to Show/Hide
|
||||
Activity |
IC50 = 490000 nM
|
[49] | |||
Compound Name |
Benzyl (3aS,6aR)-6-allyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2367635; SCHEMBL6621886; BDBM50067001; (3aS,6R)-6-Allyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester; (3R,3aalpha,6abeta)-3alpha-Allyl-4-(benzyloxycarbonyl)octahydropyrrolo[3,2-b]pyrrole-2-one
Click to Show/Hide
|
||||
Activity |
IC50 > 500000 nM
|
[40] | |||
Compound Name |
5-Methyl-N-(4-methoxyphenyl)oxazolidine-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2029552; BDBM50384106
Click to Show/Hide
|
||||
Activity |
IC50 > 500000 nM
|
[58] | |||
Compound Name |
5,5-Dimethyl-N-(4-nitrophenyl)oxazolidine-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2029555; BDBM50384110
Click to Show/Hide
|
||||
Activity |
IC50 > 500000 nM
|
[58] | |||
Compound Name |
5-Methyl-N-(4-nitrophenyl)oxazolidine-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2029553; BDBM50384107
Click to Show/Hide
|
||||
Activity |
IC50 > 500000 nM
|
[58] | |||
Compound Name |
5,5-Dimethyl-N-(4-methoxyphenyl)oxazolidine-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL2029350; BDBM50384109; 3-(4-Methoxyphenyl)-5,5-dimethyloxazolidine-2,4-dione
Click to Show/Hide
|
||||
Activity |
IC50 > 500000 nM
|
[58] | |||
Compound Name |
{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-pentafluoro-1,1-dimethyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid tert-butyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL74545; BDBM50035529
Click to Show/Hide
|
||||
Activity |
Ki > 500000 nM
|
[44] | |||
Compound Name |
Benzyl N-[(2S)-1-[[(2S)-1-[(2R)-2-[[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL145313; BDBM50068278
Click to Show/Hide
|
||||
Activity |
Ki = 595000 nM
|
[21] | |||
Compound Name |
1-{[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino}-cyclopropanecarboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL75558; G-V-P-Nva derivatives; BDBM50093011; CyclohexylGly-Val-[(4R)-naphthenylmethoxyproline]-Norvaline-1-Amino-cyclopropyl carboxylic acid
Click to Show/Hide
|
||||
Activity |
IC50 > 600000 nM
|
[53] | |||
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 = 645654.23 nM
|
[34] | |||
Compound Name |
(2,4-Dioxo-9-propyl-1H-[1,3]oxazino[4,5-b]indol-6-yl) acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL368146; BDBM50284218; Acetic acid 2,4-dioxo-9-propyl-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 665000 nM
|
[27] | |||
Compound Name |
[4-[[2-[(E)-C-Ethyl-N-hydroxycarbonimidoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL3697033; SCHEMBL16868863; SCHEMBL16868866; BDBM166434; US9073833, 2
Click to Show/Hide
|
||||
Activity |
IC50 = 679370 nM
|
[14] | |||
Compound Name |
[9-(2,2-Dimethoxyethyl)-2,4-dioxo-1H-[1,3]oxazino[4,5-b]indol-6-yl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL173369; BDBM50284215; Acetic acid 9-(2,2-dimethoxy-ethyl)-2,4-dioxo-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 742000 nM
|
[27] | |||
Compound Name |
(9-Butyl-2,4-dioxo-1H-[1,3]oxazino[4,5-b]indol-6-yl) acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL173078; BDBM50284206; Acetic acid 9-butyl-2,4-dioxo-1,2,4,9-tetrahydro-[1,3]oxazino[4,5-b]indol-6-yl ester
Click to Show/Hide
|
||||
Activity |
IC50 = 810000 nM
|
[27] | |||
Compound Name |
2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa-1,7-diaza-indene-4,6-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL174956; BDBM50284205
Click to Show/Hide
|
||||
Activity |
IC50 = 895000 nM
|
[27] | |||
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 = 977237.22 nM
|
[34] | |||
Compound Name |
6-Methoxy-9-(3-phenyl-propyl)-1,9-dihydro-[1,3]oxazino[4,5-b]indole-2,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL355751; BDBM50284201
Click to Show/Hide
|
||||
Activity |
IC50 = 989000 nM
|
[27] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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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 | Novel anthraquinone inhibitors of human leukocyte elastase and cathepsin G. J Med Chem. 1992 May 1;35(9):1597-605. | ||||
REF 3 | Synthesis and evaluation of benzoxazinone derivatives on activity of human neutrophil elastase and on hemorrhagic shock-induced lung injury in rats. Eur J Med Chem. 2010 Jul;45(7):3111-5. | ||||
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REF 5 | 3-Acylamino-azetidin-2-one as a novel class of cysteine proteases inhibitors. Bioorg Med Chem Lett. 2003 Jan 6;13(1):139-41. | ||||
REF 6 | Inhibition of human leukocyte elastase. 2. Inhibition by substituted cephalosporin esters and amides. J Med Chem. 1990 Sep;33(9):2522-8. | ||||
REF 7 | Inhibition of human leukocyte elastase. 7. Inhibition by 6-substituted penicillin amides.. Bioorg Med Chem Lett. 1993 Nov;3(11):2289-94. | ||||
REF 8 | 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 9 | Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C. Bioorg Med Chem Lett. 2009 Sep 15;19(18):5392-6. | ||||
REF 10 | Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors. J Med Chem. 2013 Dec 12;56(23):9802-6. | ||||
REF 11 | N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. J Med Chem. 2007 Oct 4;50(20):4928-38. | ||||
REF 12 | Orally active beta-lactam inhibitors of human leukocyte elastase. 3. Stereospecific synthesis and structure-activity relationships for 3,3-dialkylazetidin-2-ones. J Med Chem. 1995 Jun 23;38(13):2449-62. | ||||
REF 13 | Synthesis and evaluation of silanediols as highly selective uncompetitive inhibitors of human neutrophil elastase. J Med Chem. 2012 Sep 13;55(17):7900-8. | ||||
REF 14 | US patent application no. 9073833B1, Oxime-based compound, pharmaceutical composition containing the same and method for preparing the same | ||||
REF 15 | Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. J Med Chem. 2006 Aug 24;49(17):5232-44. | ||||
REF 16 | Design, synthesis and evaluation of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. Bioorg Med Chem. 2011 Aug 1;19(15):4460-72. | ||||
REF 17 | Inhibition of human leukocyte elastase. 3. Synthesis and activity of 3'-substituted cephalosporins. J Med Chem. 1990 Sep;33(9):2529-35. | ||||
REF 18 | Potential Anti-inflammatory Effects of the Fruits of Paulownia tomentosa. J Nat Prod. 2017 Oct 27;80(10):2659-2665. | ||||
REF 19 | Design of alternate substrate inhibitors of serine proteases. Synergistic use of alkyl substitution to impede enzyme-catalyzed deacylation. J Med Chem. 1987 Apr;30(4):489-91. | ||||
REF 20 | Azetidine-2,4-diones (4-oxo-beta-lactams) as scaffolds for designing elastase inhibitors. J Med Chem. 2008 Mar 27;51(6):1783-90. | ||||
REF 21 | Design and synthesis of hydrazinopeptides and their evaluation as human leukocyte elastase inhibitors. J Med Chem. 1998 Nov 19;41(24):4833-43. | ||||
REF 22 | Synthesis of peptidyl fluoromethyl ketones and peptidyl alpha-keto esters as inhibitors of porcine pancreatic elastase, human neutrophil elastase, ... J Med Chem. 1990 Jan;33(1):394-407. | ||||
REF 23 | Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem. 2013 Nov 14;56(21):8696-711. | ||||
REF 24 | Synthesis of new thiazinoindole derivatives and their evaluation as inhibitors of human leukocyte elastase and other related serine proteases. Bioorg Med Chem Lett. 1994 Oct 20;4(20):2399-404. | ||||
REF 25 | Inhibition of human cytomegalovirus protease N(o) with monocyclic beta-lactams. Bioorg Med Chem Lett. 1998 Jun 2;8(11):1437-42. | ||||
REF 26 | beta-Lactam derivatives as inhibitors of human cytomegalovirus protease. J Med Chem. 1998 Jul 16;41(15):2882-91. | ||||
REF 27 | 1,3-Oxazino[4,5-b]indole-2,4-(1H,9H)-diones and 5,6-dimethylpyrrolo-[2,3-d]-1,3-oxazin-2,4-(1H,7H)-diones as serine protease inhibitors. Bioorg Med Chem Lett. 1994;4(7):949-54. | ||||
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