Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T44011 | Target Info | |||
| Target Name | Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) | ||||
| Synonyms |
Short chain dehydrogenase/reductase family 28C member 1; SDR28C1; Placental 17-beta-hydroxysteroid dehydrogenase; Estradiol 17-beta-dehydrogenase 1; EDHB17; EDH17B2; EDH17B1; E2DH; E17KSR; 20-alpha-HSD; 20 alpha-hydroxysteroid dehydrogenase; 17-beta-Hydroxysteroid dehydrogenase type 1; 17-beta-HSD 1
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| Target Type | Clinical trial Target | ||||
| Gene Name | HSD17B1 | ||||
| Biochemical Class | CH-OH donor oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 18 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
5-(2-Fluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2324360; SCHEMBL12688070; BDBM50426579
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Benzyl-5-(2-methoxyphenyl)-N-methylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915954; SCHEMBL12495958; BDBM50358127
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| Activity |
IC50 = 55741 nM
|
[2] | |||
| Compound Name |
(7S)-7-Methyl-7-(4,4,4-trifluoro-1-hydroxybut-2-ynyl)-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL307621; SCHEMBL19198512; BDBM50015834
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| Activity |
Ki = 59000 nM
|
[3] | |||
| Compound Name |
N,3-Bis(3-methoxyphenyl)-N-methylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2324697; SCHEMBL12688055; BDBM50441527; 3'-Methoxy-N-(3-methoxyphenyl)-N-methylbiphenyl-3-carboxamide
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| Activity |
IC50 ~ 60000 nM
|
[4] | |||
| Compound Name |
4-(4-Chlorophenyl)-N-(3-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741097; BDBM50499963
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| Activity |
IC50 = 60100 nM
|
[5] | |||
| Compound Name |
[6-(3-Chloro-4-hydroxyphenyl)pyridin-2-yl]-(3-hydroxyphenyl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1928171; BDBM50360235
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| Activity |
IC50 = 60638 nM
|
[6] | |||
| Compound Name |
N-[(3-Hydroxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915938; SCHEMBL12688057; BDBM50358112
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| Activity |
IC50 = 64532 nM
|
[2] | |||
| Compound Name |
(7R)-7-Methyl-7-(4,4,4-trifluoro-1-hydroxybut-2-ynyl)-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75893; BDBM50015835
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| Activity |
Ki = 65000 nM
|
[3] | |||
| Compound Name |
(1R,2S,9S,12S)-9-Methyl-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaen-16-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2205683; BDBM50400839
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| Activity |
Ki = 69400 nM
|
[7] | |||
| Compound Name |
N-Cyclopropyl-5-(2-fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289870; SCHEMBL12495954; BDBM50021411; N-cyclopropyl-5-(2-fluoro-3-methoxyphenyl)-N-[(3-hydroxyphenyl)methyl]thiophene-2-carboxamide
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| Activity |
IC50 = 85343 nM
|
[8] | |||
| Compound Name |
5-(3-Methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915943; SCHEMBL12496061; BDBM50358109; N-(3-Methoxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-Cyclopentyl-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179014; CHEMBL3127882; SCHEMBL1014507; SCHEMBL1014508; BDBM50400147; BDBM50448695
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
N-Benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915955; SCHEMBL12496071; BDBM50358126
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-Benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915950; SCHEMBL12496039; BDBM50358129
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-Benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915952; SCHEMBL12496171; BDBM50358128
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-(3-Methoxybenzyl)-N,3'-dimethylbiphenyl-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915937; SCHEMBL12495864; BDBM50358113; N-[(3-methoxyphenyl)methyl]-N-methyl-4-(3-methylphenyl)benzamide
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3'-Methoxy-N-(3-methoxybenzyl)-N-methylbiphenyl-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915935; SCHEMBL12495934; BDBM50358115; 4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
5-(4-Methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1915945; SCHEMBL12495962; BDBM50358107; N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
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| Activity |
IC50 ~ 120000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(1R,2S,9S,12S)-16-Methoxy-9-methyl-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2205684; BDBM50400838
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| Activity |
Ki = 424500 nM
|
[7] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural optimization of 2,5-thiophene amides as highly potent and selective 17-hydroxysteroid dehydrogenase type 2 inhibitors for the treatment of osteoporosis. J Med Chem. 2013 Jan 10;56(1):167-81. | ||||
| REF 2 | Triazole ring-opening leads to the discovery of potent nonsteroidal 17-hydroxysteroid dehydrogenase type 2 inhibitors. Eur J Med Chem. 2011 Dec;46(12):5978-90. | ||||
| REF 3 | Trifluoromethylacetylenic alcohols as affinity labels: inactivation of estradiol dehydrogenase by a trifluoromethylacetylenic secostradiol. J Med Chem. 1990 Sep;33(9):2319-21. | ||||
| REF 4 | Novel N-methylsulfonamide and retro-N-methylsulfonamide derivatives as 17-hydroxysteroid dehydrogenase type 2 (17-HSD2) inhibitors with good ADME-related physicochemical parameters. Eur J Med Chem. 2013 Nov;69:201-15. | ||||
| REF 5 | Addressing cytotoxicity of 1,4-biphenyl amide derivatives: Discovery of new potent and selective 17-hydroxysteroid dehydrogenase type 2 inhibitors. Bioorg Med Chem Lett. 2016 Jan 1;26(1):21-4. | ||||
| REF 6 | Discovery of a new class of bicyclic substituted hydroxyphenylmethanones as 17-hydroxysteroid dehydrogenase type 2 (17-HSD2) inhibitors for the treatment of osteoporosis. Eur J Med Chem. 2012 Jan;47(1):1-17. | ||||
| REF 7 | Synopsis of some recent tactical application of bioisosteres in drug design. J Med Chem. 2011 Apr 28;54(8):2529-91. | ||||
| REF 8 | Novel, potent and selective 17-hydroxysteroid dehydrogenase type 2 inhibitors as potential therapeutics for osteoporosis with dual human and mouse activities. Eur J Med Chem. 2014 Aug 18;83:317-37. | ||||
| REF 9 | Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors. J Med Chem. 2012 Dec 13;55(23):10652-61. | ||||
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