Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T13714 | Target Info | |||
| Target Name | Oxysterols receptor LXR-beta (NR1H2) | ||||
| Synonyms |
Ubiquitously-expressed nuclear receptor; Nuclear receptor subfamily 1 group H member 2; Nuclear receptor NER; Nuclear orphan receptor LXR-beta; NER; Liver X receptor beta; LXRbeta; LXRB
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| Target Type | Clinical trial Target | ||||
| Gene Name | NR1H2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 36 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Deoxynojirimycin
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Phase 3 | Compound Info | ||
| Synonyms |
1-DEOXYNOJIRIMYCIN; 19130-96-2; DUVOGLUSTAT; deoxynojirimycin; Moranoline; (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol; 1,5-Deoxy-1,5-imino-D-mannitol; Moranolin; UNII-FZ56898FLE; D-1-deoxynojirimycin; 1,5-Dideoxy-1,5-imino-D-glucitol; CHEMBL307429; C6H13NO4; FZ56898FLE; CHEBI:44369; 1-Deoxy-Nojirimycin; 5-Amino-1,5-dideoxy-D-glucopyranose; DNJ; AK151410; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4R,5S)-; 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
BETULINIC ACID
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Phase 1 | Compound Info | ||
| Synonyms |
betulinic acid; 472-15-1; Mairin; Betulic acid; NSC 113090; CCRIS 6748; 3-Hydroxylup-20(29)-en-28-oic acid; UNII-4G6A18707N; 3beta-Hydroxy-20(29)-lupaene-28-oic acid; EINECS 207-448-8; NSC677578; als-357; NSC 677578; CHEMBL269277; CHEBI:3087; 3beta-Hydroxy-lup-20(29)-en-28-oic acid; 4G6A18707N; Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-; AK-72848; Lupatic Acid; SMR000445624
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
2-(2-hexylphenyl)isoindoline-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL245943; PP60; BDBM23841
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| Activity |
IC50 = 65000 nM
|
[1] | |||
| Compound Name |
4,12,17-dehydroxyriccardin C
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Investigative | Compound Info | ||
| Synonyms |
Deoxyriccardin C; 4,12,17-dehydroxyriccardin C; Riccardin C derivative, 22; CHEMBL410486; BDBM23854
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| Activity |
IC50 = 77000 nM
|
[1] | |||
| Compound Name |
CYANIDIN
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Investigative | Compound Info | ||
| Synonyms |
Cyanidin; 13306-05-3; UNII-7732ZHU564; 3,5,7,3',4'-Pentahydroxyflavylium; 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol; CHEMBL404515; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium; CHEBI:27843; 3,3',4',5,7-pentahydroxyflavylium; 7732ZHU564; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium; cyanidin cation; 3,3',4,5,7-Pentahydroxyflavylium chloride; cyanidin(1+); Flavylium, 3,3',4',5,7-pentahydroxy-; AC1L2UL2; SCHEMBL20799; 528-58-5 (chloride); DTXSID10157933; MolPort-044-559-814
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| Activity |
EC50 = 125200 nM
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[3] | |||
| Compound Name |
(Dodecahydro-carbazol-9-yl)-((1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL370175; BDBM50172192
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,4As,10aR)-N-[1-(1-adamantyl)ethyl]-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL371990; BDBM50172206
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
(1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid allyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196106; BDBM50172201
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,4As,10aR)-N-(1-adamantylmethyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194642; BDBM50172185
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
((1R,4Ar,7S,8aS,10aS)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL470040; SCHEMBL267115; BDBM50241877
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(1S,4As,10aR)-N-(2-adamantyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194409; BDBM50172188
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL382942; BDBM50172190
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-[(1-phenylcyclohexyl)methyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL372612; BDBM50172204
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
(1S,4As,10aR)-6-hydroxy-1,4a-dimethyl-N-(2-phenylethyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL196145; BDBM50172193
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
Polycarpol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL486808; BDBM50241886
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| Activity |
EC50 ~ 50000 nM
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[2] | |||
| Compound Name |
(1R,4Ar,7S,8aS,10aS)-N-(1-adamantylmethyl)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL521375; BDBM50241904
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| Activity |
EC50 ~ 50000 nM
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[2] | |||
| Compound Name |
(1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid but-3-enyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194192; BDBM50172194
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
(1S,4As,10aR)-1,4a-dimethyl-N-[(1-phenylcyclohexyl)methyl]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194353; BDBM50172186
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Acanthoic acid
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Investigative | Compound Info | ||
| Synonyms |
(-)-Acanthoic acid; CHEMBL512490; SCHEMBL266801; DTXSID50904822; BDBM50241876
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(1S,4As,10aR)-N-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197522; BDBM50172197
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|
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Podocarpic acid
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Investigative | Compound Info | ||
| Synonyms |
12-hydroxypodocarpa-8,11,13-trien-16-oic acid; UNII-7K80G5Z96Y; CHEMBL421115; 7K80G5Z96Y; EINECS 227-706-3; NSC 231784; Podocaric Acid; podo-carpic acid; Podocarpic acid, 98%; podocarpic acids derivatives; TimTec1_001673; SCHEMBL160062; MEGxp0_001903; ACon0_000057; ACon1_002112; CTK1G9846; DTXSID30878214; HMS1538M01; HY-N2318; ZINC3947415; 6406AF; BDBM50167696; MFCD00074825; AKOS015893995; CCG-208490; CS-6114; LMPR0104120002; NCGC00142360-01; NCGC00142360-02; NCGC00142360-03; ST019369; C09171; BRD-K22269939-001-01-4; BRD-K22269939-001-02-2; Q27108028; Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy- (VAN) (8CI)
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(1S,4As,10aR)-N-(adamantane-1-carbonyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194679; BDBM50172207
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| Activity |
EC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,4As,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid pent-4-enyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL426289; BDBM50172205
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
(1S,4As,10aR)-N-(2-bicyclo[2.2.1]heptanyl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL424831; BDBM50172202
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
Rosacea acid B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL487001; BDBM50241887
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(1S,4As,10aR)-N-(2,2-diphenylpropyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL365750; BDBM50172203
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
(1S,4As,10aR)-1,4a-dimethyl-N-(1-phenylcyclohexanecarbonyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194573; BDBM50172199
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
1-Adamantan-1-yl-3-((1S,4aS,10aR)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-propane-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL194866; BDBM50172187
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| Activity |
EC50 ~ 50000 nM
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[4] | |||
| Compound Name |
3-Benzyl-4-(3-{[5-chloro-2-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL563706; SCHEMBL3279629; BDBM50294754; 3-benzyl-4-[3-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
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| Activity |
IC50 = 57000 nM
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[5] | |||
| Compound Name |
[3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl][5-fluoro-2-(trifluoromethyl)benzyl]amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL551584; SCHEMBL3283387; BDBM50294751; 3-(3-benzyl-8-chlorocinnolin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]aniline
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| Activity |
IC50 = 62000 nM
|
[5] | |||
| Compound Name |
3-Benzyl-4-(3-{[2-fluoro-3-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL550441; SCHEMBL3278011; BDBM50294755; 3-benzyl-4-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
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| Activity |
IC50 = 63000 nM
|
[5] | |||
| Compound Name |
8-Chloro-4-(3-{[5-chloro-2-(trifluoromethyl)benzyl]oxy}phenyl)-3-phenylcinnoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL557702; SCHEMBL3279324; BDBM50294752; 8-Chloro-4-(3-{[5-chloro-2-(trifluoromethyl)benzyl]oxy}-phenyl)-3-phenylcinnoline; 8-chloro-4-[3-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-3-phenylcinnoline
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| Activity |
IC50 = 65000 nM
|
[5] | |||
| Compound Name |
3-Benzyl-8-chloro-4-[3-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]phenyl]cinnoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL560648; SCHEMBL3279215; BDBM50294749; 3-Benzyl-8-chloro-4-(3-{[5-chloro-2-(trifluoromethyl)-benzyl]oxy}phenyl)cinnoline
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| Activity |
IC50 = 85000 nM
|
[5] | |||
| Compound Name |
2-(2-(Ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL215445; BDBM50192130
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| Activity |
IC50 = 90000 nM
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[6] | |||
| Compound Name |
4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL522668; BDBM50258171
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3-(4-(N-(3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)phenyl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL492563; BDBM50258173
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| Activity |
EC50 ~ 100000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. Bioorg Med Chem. 2008 Apr 15;16(8):4272-85. | ||||
| REF 2 | Diterpenoid, steroid, and triterpenoid agonists of liver X receptors from diversified terrestrial plants and marine sources. J Nat Prod. 2005 Aug;68(8):1247-52. | ||||
| REF 3 | Cyanidin, a natural flavonoid, is an agonistic ligand for liver X receptor alpha and beta and reduces cellular lipid accumulation in macrophages and hepatocytes. Bioorg Med Chem Lett. 2013 Jul 15;23(14):4185-90. | ||||
| REF 4 | Design, synthesis, and structure-activity relationship of podocarpic acid amides as liver X receptor agonists for potential treatment of atherosclerosis. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4574-8. | ||||
| REF 5 | Discovery and SAR of cinnolines/quinolines as liver X receptor (LXR) agonists with binding selectivity for LXRbeta. Bioorg Med Chem. 2009 May 15;17(10):3519-27. | ||||
| REF 6 | Synthesis and evaluation of anilinohexafluoroisopropanols as activators/modulators of LXRalpha and beta. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5231-7. | ||||
| REF 7 | Liver X receptor agonists with selectivity for LXRbeta; N-aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides. Bioorg Med Chem Lett. 2009 Apr 1;19(7):2009-12. | ||||
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