Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98278 | Target Info | |||
| Target Name | HUMAN type-1 angiotensin II receptor (AGTR1) | ||||
| Synonyms |
Type-1 angiotensin II receptor; Angiotensin II type-1 receptor; Angiotensin II receptor 1; Angiotensin 1 receptor; AT2R1B; AT2R1; AT1BR; AT1AR; AT1; AGTR1B; AGTR1A
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| Gene Name | AGTR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 74 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
ML221
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Investigative | Compound Info | ||
| Synonyms |
ML221; 877636-42-5; ML 221; CHEMBL2158347; ML-221; 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate; [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate; AC1OHVTH; MLS003389520; GTPL6282; SCHEMBL17326564; CHEBI:92965; AOB1262; MolPort-003-127-646; ZINC4377282; BCP28945; BDBM50393964; AKOS016372065; MCULE-7007021256; SB19613; AS-16633; SMR002078184; HY-103254; CS-0026651; J3.654.307H; MLS-0437359.0002; MLS-0437359.0001; AB00687545-01; SR-01000020403; SR-01000020403-1; F2510-0124
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-chloro-5-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158005; ZINC9829253; BDBM50393907; AKOS024654806; MCULE-5690344762; MLS-0437367.0001; SR-01000020415; SR-01000020415-1; F2510-0136
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| Activity |
IC50 = 60100 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 5-chloro-2-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158281; ZINC9829251; BDBM50393927; AKOS024654804; MCULE-5413328943; MLS-0437365.0001; SR-01000020413; SR-01000020413-1; F2510-0134
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-nitrobenzenesulfonate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158336; BDBM50393939; MLS-0445742.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
5-Hydroxy-2-((phenylthio)methyl)-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158320; BDBM50393955; ZINC19928422; 5-hydroxy-2-(phenylsulfanylmethyl)pyran-4-one; MLS-0437459.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158272; MLS003389524; ZINC4377289; BDBM50393899; AKOS024654801; MCULE-1875286548; SMR002078188; MLS-0437386.0001; SR-01000020410; SR-01000020410-1; Q27164657; F2510-0131
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[4-Oxo-6-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]pyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158326; BDBM50393949; MLS-0446031.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-chlorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158274; ZINC4377255; BDBM50393897; AKOS024654756; MCULE-2302122859; MLS-0437384.0001; AB00687533-01; SR-01000020369; SR-01000020369-1; F2510-0083
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158276; MLS003389525; BDBM50393895; SMR002078189; MLS-0437462.0001; MLS-0437462.0002; Q27164087
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158344; ZINC9829254; BDBM50393925; AKOS024654809; MCULE-1373020744; MLS-0437368.0001; SR-01000020418; SR-01000020418-1; F2510-0139
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methoxyphenyl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158325; BDBM50393950; MLS-0446030.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-chlorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158346; ZINC4377254; BDBM50393922; AKOS024654755; MCULE-5147198507; MLS-0437357.0001; SR-01000020368; SR-01000020368-1; F2510-0082
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-ethoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158353; ZINC4377197; BDBM50393916; AKOS024654712; MCULE-3476546292; MLS-0437353.0001; SR-01000020327; SR-01000020327-1; F2510-0034
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-cyanobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158319; BDBM50393956; MLS-0445743.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Methyl-3-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158345; MLS003389521; ZINC4377288; BDBM50393924; [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-methyl-3-nitrobenzoate; AKOS024654800; MCULE-6637258384; SMR002078185; MLS-0437362.0001; MLS-0437362.0002; AB00687547-01; SR-01000020409; SR-01000020409-1; Q27165016; F2510-0130; 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-methyl-3-nitrobenzoate
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-butoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158355; ZINC4377207; BDBM50393914; AKOS024654717; MCULE-2819126309; MLS-0437355.0001; SR-01000020333; SR-01000020333-1; F2510-0040
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158351; ZINC4377172; BDBM50393918; AKOS024654688; MCULE-7536539741; MLS-0437349.0001; AB00687513-01; SR-01000020304; SR-01000020304-1; F2510-0010
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-isopropoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158354; ZINC4377203; BDBM50393915; AKOS024654715; MCULE-2740505849; MLS-0437354.0001; SR-01000020330; SR-01000020330-1; F2510-0037
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
5-Hydroxy-2-((pyrimidin-2-ylthio)methyl)-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158322; 5-hydroxy-2-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-4-one; SCHEMBL15399722; KUC106814N; BDBM50393953; STL468885; ZINC11919861; AKOS016353011; MCULE-1108723155; KSC-11-237-3; MLS-0437302.0001; 5-hydroxy-2-(pyrimidin-2-ylsulfanylmethyl)pyran-4-one; F2135-0262
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-methyl-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158266; ZINC4377285; BDBM50393906; AKOS024654797; MCULE-4134126676; MLS-0437360.0001; SR-01000020406; SR-01000020406-1; F2510-0127
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl furan-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1441406; SMR000237279; MLS000696810; REGID_for_CID_7218011; HMS1656O08; HMS2527D06; ZINC4377368; BDBM50393936; AKOS024654910; MCULE-3302590688; MLS-0207557.0001; SR-01000020505; SR-01000020505-1; F2510-0305
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-methoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158283; ZINC4377188; BDBM50393961; AKOS024654704; MCULE-7567982063; MLS-0437387.0001; SR-01000020319; SR-01000020319-1; F2510-0026
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-chlorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158285; ZINC4377252; BDBM50393959; AKOS024654753; MCULE-6733482660; MLS-0437382.0001; SR-01000020366; SR-01000020366-1; F2510-0080
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(morpholinosulfonyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158270; ZINC9829308; BDBM50393902; AKOS024654907; MCULE-4387499296; MLS-0437374.0001; F2510-0301
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] thiophene-3-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158339; BDBM50393935
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158277; ZINC9829259; BDBM50393894; AKOS024654818; MCULE-8694763509; MLS-0437460.0001; SR-01000020428; SR-01000020428-1; F2510-0149
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-oxazole-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158341; BDBM50393933
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Chlorophenyl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158327; BDBM50393948; MLS-0446032.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-(trifluoromethoxy)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158318; BDBM50393957; MLS-0437461.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-fluorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158280; ZINC4377243; BDBM50393929; AKOS024654747; MCULE-8402715972; MLS-0437463.0001; SR-01000020360; SR-01000020360-1; F2510-0074
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Cyanobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158348; MLS003389522; BDBM50393921; SMR002078186; MLS-0437497.0001; MLS-0437497.0002; Q27164509
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(pyrrolidin-1-ylsulfonyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1599381; SMR000237592; MLS000724757; HMS2520F05; ZINC8860149; BDBM50393928; AKOS024654902; MCULE-2931109202; MLS-0228680.0001; AB00568339-02; F2510-0296
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[4-Oxo-6-(phenylsulfanylmethyl)pyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158329; BDBM50393946; MLS-0437458.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzenesulfonate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158335; BDBM50393940; MLS-0445741.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl [1,1'-biphenyl]-4-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158267; ZINC9829269; BDBM50393905; AKOS024268665; MCULE-6164193873; MLS-0437370.0001; SR-01000020438; SR-01000020438-1; F2510-0163
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158284; ZINC4377170; BDBM50393960; AKOS024654686; MCULE-5447962898; MLS-0437381.0001; AB00687512-01; SR-01000020302; SR-01000020302-1; F2510-0008
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylphenyl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158328; BDBM50393947; MLS-0446033.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfonylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158342; BDBM50393932; MLS-0437481.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158343; HMS1656G08; ZINC4377163; BDBM50393926; AKOS024654680; MCULE-6578205768; MLS-0437348.0001; AB00687510-01; SR-01000020295; SR-01000020295-1; F2510-0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(N,N-dimethylsulfamoyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1308730; MLS000685008; HMS2588M24; ZINC9829302; BDBM50393911; AKOS024654897; MCULE-2588320887; SMR000324957; MLS-0242414.0001; AB00614396-06; SR-01000020503; SR-01000020503-1; F2510-0289
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 5-nitrofuran-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158340; BDBM50393934; MLS-0437649.0001
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158286; ZINC4377167; BDBM50393958; AKOS024654684; MCULE-4564496294; MLS-0437383.0001; SR-01000020299; SR-01000020299-1; F2510-0005
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1557707; MLS000685795; HMS2767G23; ZINC4377277; BDBM50393923; AKOS024654792; MCULE-5863694213; SMR000324310; MLS-0239733.0001; AB00585731-02; SR-01000020400; SR-01000020400-1; F2510-0121
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
2-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-5-hydroxy-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158324; BDBM50393951; STL468887; ZINC41127958; AKOS022191628; MCULE-4249394844; MLS-0437432.0001; F2135-0264; 2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-hydroxy-4H-pyran-4-one
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3,4-dimethylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158264; ZINC4377178; BDBM50393909; AKOS024654694; MCULE-2102231886; MLS-0437350.0001; SR-01000020310; SR-01000020310-1; F2510-0016
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
5-[(4-Chloro-3-nitrophenyl)methoxy]-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158331; BDBM50393944; MLS-0437585.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-fluorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158262; ZINC4377242; BDBM50393912; AKOS024654746; MCULE-4061283118; MLS-0437356.0001; MLS-0437356.0002; AB00687530-01; SR-01000020359; SR-01000020359-1; F2510-0073
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(N,N-diethylsulfamoyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158268; HMS1656K08; ZINC9829303; BDBM50393904; AKOS024654899; MCULE-4569271720; MLS-0437371.0001; F2510-0292
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2,2-dimethylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158332; BDBM50393943; MLS-0437586.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(trifluoromethyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158349; ZINC4377292; BDBM50393920; AKOS024654817; MCULE-8876013415; MLS-0437369.0001; SR-01000020427; SR-01000020427-1; F2510-0148
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-bromobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158350; ZINC9829233; BDBM50393919; AKOS024654764; MCULE-6611556601; MLS-0437358.0001; AB00687534-01; SR-01000020377; SR-01000020377-1; F2510-0091
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
N-[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158337; BDBM50393938; MLS-0445748.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 5-chloro-2-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158265; ZINC9829250; BDBM50393908; AKOS024654803; MCULE-8841151754; MLS-0437364.0001; SR-01000020412; SR-01000020412-1; F2510-0133
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158275; MLS003389523; ZINC4377283; BDBM50393896; [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-nitrobenzoate; AKOS024654795; MCULE-1534568739; SMR002078187; MLS-0437385.0001; MLS-0437385.0002; AB00687546-01; SR-01000020404; SR-01000020404-1; Q27165019; F2510-0125; 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-nitrobenzoate
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(piperidin-1-ylsulfonyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158269; ZINC9829305; BDBM50393903; AKOS024654904; MCULE-6966533538; MLS-0437373.0001; F2510-0298
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158273; ZINC4377278; BDBM50393898; AKOS024654793; MCULE-9425868017; MLS-0437389.0001; SR-01000020401; SR-01000020401-1; F2510-0122
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-chlorobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158282; ZINC4377248; BDBM50393962; AKOS024654750; MCULE-1276507206; MLS-0437390.0001; SR-01000020363; SR-01000020363-1; F2510-0077
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-methoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158352; ZINC4377190; BDBM50393917; AKOS024654706; MCULE-7075790602; MLS-0437352.0001; SR-01000020321; SR-01000020321-1; F2510-0028
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-methylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158333; BDBM50393942; MLS-0437587.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
2-(((4-Fluorophenyl)thio)methyl)-5-hydroxy-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158321; 5-hydroxy-2-((4-fluorophenylthio)methyl)-4H-pyran-4-one; NSC518106; ZINC1604611; BDBM50393954; AKOS026681379; NSC-518106; MLS-0445749.0001; F2158-2286
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158279; ZINC4377192; BDBM50393930; AKOS024654707; MCULE-1349697304; MLS-0437380.0001; SR-01000020322; SR-01000020322-1; F2510-0029
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
N-[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl]-4-nitrobenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158338; BDBM50393937; MLS-0446037.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158334; BDBM50393941; MLS-0437588.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
2-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-5-phenylmethoxypyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158330; BDBM50393945; MLS-0437391.0001
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-chloro-5-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1470363; MLS000696770; HMS2544G23; ZINC8683847; BDBM50393963; AKOS024654807; MCULE-4046755598; SMR000237275; MLS-0225133.0001; SR-01000020416; SR-01000020416-1; F2510-0137
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methylbenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158278; ZINC4377173; BDBM50393931; AKOS024654689; MCULE-7274717735; MLS-0437388.0001; AB00687514-01; SR-01000020305; SR-01000020305-1; F2510-0011
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(tert-butyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158261; ZINC4377181; BDBM50393913; AKOS024654697; MCULE-8924353931; MLS-0437351.0001; SR-01000020313; SR-01000020313-1; F2510-0019
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4,5-dimethoxy-2-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158271; ZINC9829336; BDBM50393901; AKOS024654935; MCULE-6107856031; MLS-0437375.0001; SR-01000020525; SR-01000020525-1; F2510-0364
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
5-Hydroxy-2-(((4-methylpyrimidin-2-yl)thio)methyl)-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158323; BDBM50393952; ZINC95580112; AKOS022191627; MLS-0437378.0001; F2135-0263
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
[6-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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Investigative | Compound Info | ||
| Synonyms |
MLS000696790; SMR000237277; CHEMBL1346478; BDBM32307; cid_12005992; HMS2538M24; ZINC8683856; AKOS024654810; MCULE-4649982092; MLS-0224164.0001; MLS-0224164.0002; AB00558476-02; SR-01000020419; SR-01000020419-1; F2510-0140
Click to Show/Hide
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| Activity |
IC50 ~ 79000 nM
|
[1] | |||
| Compound Name |
6-(((4-Methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzoate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1545659; MLS000685799; HMS2767C11; ZINC4377164; BDBM50393900; AKOS024654681; MCULE-8777957579; SMR000324308; MLS-0241726.0001; SR-01000020296; SR-01000020296-1; F2510-0002
Click to Show/Hide
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(pyrrolidin-1-ylsulfonyl)benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2158263; HMS1656M08; ZINC9829304; BDBM50393910; AKOS024654901; MCULE-3359331369; MLS-0437372.0001; AB00687573-01; F2510-0295
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| Activity |
IC50 ~ 79000 nM
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[1] | |||
| Compound Name |
Apelin precursor (61-77) (human, bovine, mouse, rat) trifluoroacetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3234446; BDBM50009575; NCGC00167188-01; Lys-Phe-Arg-Arg-Gln-Arg-Phe-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe
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| Activity |
Ki ~ 100000 nM
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[2] | |||
| Compound Name |
(6S)-1-[(4-Amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL292277; EXP655; SCHEMBL9132716; DTXSID501018019; BDBM50010361; ZINC26154046; SDCCGSBI-0633692.P001; NCGC00162092-01; NCGC00162092-02; NCGC00162092-04
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Bioorg Med Chem Lett. 2012 Nov 1;22(21):6656-60. | ||||
| REF 2 | Structure-activity relationship studies toward the discovery of selective apelin receptor agonists. J Med Chem. 2014 Apr 10;57(7):2908-19. | ||||
| REF 3 | Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. J Med Chem. 1996 Feb 2;39(3):625-56. | ||||
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