Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82702 | Target Info | |||
| Target Name | Pregnane X receptor (NR1I2) | ||||
| Synonyms |
Steroid and xenobiotic receptor; SXR; PXR; Orphan nuclear receptor PXR; Orphan nuclear receptor PAR1; Nuclear receptor subfamily 1 group I member 2
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| Target Type | Literature-reported Target | ||||
| Gene Name | NR1I2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 51 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BMS-911543
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|
Phase 2 | Compound Info | ||
| Synonyms |
BMS-911543; 1271022-90-2; BMS 911543; BMS911543; UNII-7N03P021J8; 7N03P021J8; N,N-Dicyclopropyl-4-[(1,5-Dimethyl-1h-Pyrazol-3-Yl)amino]-6-Ethyl-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide; JCINBYQJBYJGDM-UHFFFAOYSA-N
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(2R)-2-(methoxymethyl)morpholine-4-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126849; BDBM50448518
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-10-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126856; SCHEMBL13869228; BDBM50448512
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxyazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126852; cyclohexyl-N-(dimethylsulfamoyl)-(3-hydroxyazetidine-1-carbonyl)-methoxy-[?]carboxamide; SCHEMBL13869220; BDBM50448516
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Chembl4126289
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL417504; BDBM50273916; SB19591
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| Activity |
EC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
19-Cyclohexyl-10-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126656; BDBM50448505; cyclohexyl-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-methoxy-[?]carboxamide
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126841; SCHEMBL12034538; BDBM50448499
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126834; BDBM50448497
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2,4]triazolo[4,3-A]pyridine
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Investigative | Compound Info | ||
| Synonyms |
CCCTP; CHEMBL3318978; 3-(1-(4-Chlorophenyl)cyclopropyl)-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine; BDBM50054691; Q27451989
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| Activity |
EC50 = 50000 nM
|
[4] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126853; cyclohexyl-N-(dimethylsulfamoyl)-(3-hydroxy-3-methyl-azetidine-1-carbonyl)-methoxy-[?]carboxamide; SCHEMBL13869219; BDBM50448515
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
4-[8-(3-Chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.2]octan-1-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1800134; SCHEMBL3376285; BDBM50348309; 1-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.2]octan-4-ol
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| Activity |
EC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
4-(4-Fluorophenyl)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4082055; SCHEMBL13216585; SCHEMBL13216590
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
Beclabuvir
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Investigative | Compound Info | ||
| Synonyms |
UNII-MYW1X5CO9S; MYW1X5CO9S; CHEMBL4105584; BMS-791325; Beclabuvir [USAN:INN]; BMS 791325; SCHEMBL14878708; BDBM50268401; DB12225; NCGC00483024-01; Q19596032
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| Activity |
EC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-propan-2-ylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126855; SCHEMBL13869230; BDBM50448513
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126860; SCHEMBL13869361; BDBM50448508
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-5-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4105356; SCHEMBL13216408; SCHEMBL13216410
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
1-(2-Fluoro-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3338181; SCHEMBL2337096; BDBM50026072
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| Activity |
EC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
Bms-903452
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Investigative | Compound Info | ||
| Synonyms |
UNII-49731B9ULN; CHEMBL3338194; 49731B9ULN; SCHEMBL2518877; BDBM50026240; DB11773; SB16861; Q27259240
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| Activity |
EC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
CID 49847753
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2043007; SCHEMBL2123969; BDBM50385809
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-N-cyclopropylsulfonyl-5-fluoro-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4066984
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| Activity |
EC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
19-Cyclohexyl-10-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126859; SCHEMBL13936747; BDBM50448509; cyclohexyl-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-N-(dimethylsulfamoyl)-methoxy-[?]carboxamide
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-10-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126838; SCHEMBL12034524; BDBM50448502; cyclohexyl-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(dimethylsulfamoyl)-methoxy-[?]carboxamide
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
4-(4-Fluorophenyl)-4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]adamantane-1-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4060170; SCHEMBL13216273
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-1-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4097650
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-4-hydroxy-4-methyl-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4079620
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
4-Fluoro-2-(4-Fluorophenyl)-N-Methyl-5-(2-Methyl-5-{[1-(Pyrimidin-2-Yl)cyclopropyl]carbamoyl}phenyl)-1-Benzofuran-3-Carboxamide
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Investigative | Compound Info | ||
| Synonyms |
BMS-929075; UNII-8S38482CST; 8S38482CST; SCHEMBL2143038; CHEMBL4093031; DB14950; J3.653.608J; Q27896030
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| Activity |
EC50 ~ 50000 nM
|
[10] | |||
| Compound Name |
(8S,11S,14S,17S,28S,31S,34S,37R)-37-(Cyclopropylsulfonylamino)-10,30-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-14,34-bis(naphthalen-2-ylmethyl)-12,15,32,35-tetraoxo-2,23-dioxa-5,6,7,10,13,16,30,33,36-nonazahexacyclo[37.2.2.219,22.14,7.18,11.128,31]octatetraconta-1(42),4(48),5,19,21,39(43),40,45-octaene-17-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3609325; BDBM50112346
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| Activity |
EC50 ~ 50000 nM
|
[11] | |||
| Compound Name |
1-[(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(1R,3R)-3-hydroxycyclopentyl]urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3334726; SCHEMBL13676684; BDBM50056450
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| Activity |
EC50 ~ 50000 nM
|
[12] | |||
| Compound Name |
CID 49849115
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2043008; SCHEMBL2121058; BDBM50385810
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| Activity |
IC50 ~ 50000 nM
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[9] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
BMS-791325; Beclabuvir (USAN/INN); Beclabuvir(BMS-791325); CHEMBL3126842; SCHEMBL11951525; BDBM50448498; CS-6041; SB16521; HY-12429; D10610
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
8-[(3-Methylpyridin-2-yl)methyl]-1-(4-oxo-1H-pyridin-2-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2043006; BDBM50385834
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
2-(4-Fluorophenyl)-N-methyl-5-(2-methyl-5-(1-(pyrimidin-2-yl)cyclopropylcarbamoyl)phenyl)benzofuran-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2142804; CHEMBL4104000
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| Activity |
EC50 ~ 50000 nM
|
[10] | |||
| Compound Name |
Chembl4173715
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Investigative | Compound Info | ||
| Synonyms |
GSK2973980A; BDBM50287310; HY-111417; CS-0040563
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| Activity |
EC50 ~ 50000 nM
|
[13] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-ethyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126835; SCHEMBL13791549; BDBM50448496
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
10-[(3R,5S)-4-Acetyl-3,5-dimethylpiperazine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126861; SCHEMBL13869371; BDBM50448507
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
8-[(3-Methylpyridin-2-yl)methyl]-1-(6-oxo-1H-pyrimidin-4-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2043004; BDBM50385832
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1362332; 2-[2-(4-fluorophenyl)adamantan-2-yl]acetic acid; Oprea1_349305; MLS001195312; SCHEMBL3011643; SCHEMBL14299423; KS-00001WCV; HMS2876A11; ZINC5252880; BDBM50356333; AKOS005091210; SMR000550524; 2-(4-Fluorophenyl)adamantane-2-acetic acid; J3.655.463K; 4F-923
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| Activity |
EC50 ~ 50000 nM
|
[14] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-6-hydroxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2024060; CHEMBL4069598; CHEMBL4073762; SCHEMBL12576585; SCHEMBL13216424
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| Activity |
EC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
10-(4-Acetylpiperazine-1-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126655; BDBM50448506; (4-acetylpiperazine-1-carbonyl)-cyclohexyl-N-(dimethylsulfamoyl)-methoxy-[?]carboxamide
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126658; SCHEMBL13791188; BDBM50448504
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-10-(3,6-diazabicyclo[3.1.1]heptane-6-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126657; BDBM50448494
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-phenylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126857; SCHEMBL13869224; BDBM50448511; cyclohexyl-N-(dimethylsulfamoyl)-(3-hydroxy-3-phenyl-azetidine-1-carbonyl)-methoxy-[?]carboxamide
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(8S,10R)-19-Cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-propan-2-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3758288; SCHEMBL12034734; BDBM50142901
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| Activity |
EC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
5-[[2-(4-Phenylphenyl)-2-adamantyl]methyl]-2H-tetrazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103437; BDBM50445571
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| Activity |
EC50 ~ 50000 nM
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[15] | |||
| Compound Name |
19-Cyclohexyl-N-(dimethylsulfamoyl)-10-[3-(4-fluorophenyl)-3-hydroxyazetidine-1-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3126858; SCHEMBL13869226; BDBM50448510
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| Activity |
EC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]-1-(3-hydroxyazetidin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4087497; SCHEMBL13216418; SCHEMBL13216420
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| Activity |
EC50 ~ 50000 nM
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[6] | |||
| Compound Name |
1-[(2R)-1-[(4S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(1R,3S)-3-hydroxycyclopentyl]urea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3334728; SCHEMBL17613487; BDBM50056476
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| Activity |
EC50 ~ 50000 nM
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[12] | |||
| Compound Name |
N-[(3Ar,4R,5R,7S,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-5-yl]ethanesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623127
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| Activity |
EC50 ~ 50000 nM
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[16] | |||
| Compound Name |
Dimercaprol
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Investigative | Compound Info | ||
| Synonyms |
2,3-Dimercapto-1-propanol; 2,3-Dimercaptopropanol; Dithioglycerine; Sulfactin; Dicaptol; dimercaptopropanol; 2,3-Dithiopropanol; British Anti-Lewisite; 1,2-Dithioglycerol; British antilewisite; 1-Propanol, 2,3-dimercapto-; Antoxol; Dimersol; Panobal; BAL in Oil; 1,2-Dimercapto-3-propanol; Dimercaprol propanol; Dimercaprolum; Dithioglycerol; 2,3-Dimercaptol-1-propanol; Usaf me-1; 3-Hydroxy-1,2-propanedithiol; alpha,beta-Dithioglycerol; 2,3-bis(sulfanyl)propan-1-ol; Dimerkaprol; 2,3-Mercaptopropanol; 2,3-Dimercaptopropan-1-ol; Glycerol, 1,2-dithio-; 2,3-Mercaptopropan-1-ol; NSC 4646; 2,3-disulfanylpropan-1-ol; NSC 39515; MFCD00004864; Dimercaptol; .alpha.,.beta.-Dithioglycerol; NSC4646; Glycerol,2-dithio-; 2,3-Dimercapto-1-propanol; Dithioglycerol; WLN: SH1YSH1Q; 1-Propanol,3-dimercapto-; Sulfactin (VAN); Dimerkaprol [Czech]; Dimercaprolo [DCIT]; Dithioglycerol (VAN); Dimercaprolo; Dimercaptopropanol (VAN); DMP (VAN); Dimercaprolum [INN-Latin]; 2,3-Dimercapro; NSC16865; CCRIS 3616; HSDB 4004; 2,3-Dimercapto-1-propanol, 97.0-100.5%; EINECS 200-433-7; BRN 1732058; 1-Propanol, 2,3-dimercapto; AI3-61820; Anti-Lewisite; Dimercaprol [USP:INN:BAN:JAN]; Spectrum_001965; ACMC-1AQYA; 2, 3-dimercaptopropanol; 2,3-Mercaptopropanol-1; Spectrum2_001218; Spectrum4_001275; Spectrum5_001622; BAL (TN); CHEMBL1597; DSSTox_CID_20461; DSSTox_RID_79496; DSSTox_GSID_40461; SCHEMBL15969; KBioGR_001890; KBioSS_002524; 2,3 -dimercapto-1-propanol; 2,3-dimercapto-propan-1-ol; 4-01-00-02770 (Beilstein Handbook Reference); DivK1c_000997; SPBio_001036; 2,3-Disulfanyl-1-propanol #; Dimercaprol (JP17/USP/INN); DTXSID5040461; CTK3J1382; HMS503G15; KBio1_000997; KBio2_002516; KBio2_005084; KBio2_007652; NINDS_000997; Pharmakon1600-01500252; BCP18145; HY-B1285; NSC-4646; NSC39515; Tox21_110014; ANW-33288; BDBM50103608; CCG-39156; NSC-39515; NSC760094; AKOS015895110; DB06782; NSC-760094; IDI1_000997; NCGC00013216-01; NCGC00344527-01; NCI60_001345; SBI-0051351.P002; DB-053404; CS-0013059; D0621; FT-0625021; C02924; D00167; AB00051971_02; 004D864; 2,3-Dimercapto-1-propanol, >=98% (iodometric); Q413968; SR-05000001839; SR-05000001839-1; W-105317
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| Activity |
EC50 = 50100 nM
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[17] | |||
| Compound Name |
Chembl4215754
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Investigative | Compound Info | ||
| Synonyms |
BDBM50457086
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| Activity |
EC50 ~ 60000 nM
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[18] | |||
| Compound Name |
Levothyroxine
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Investigative | Compound Info | ||
| Synonyms |
L-thyroxine; thyroxine; thyroxin; Tetraiodothyronine; Thyrax; 3,3',5,5'-Tetraiodo-L-thyronine; synthroid; Thyratabs; Thyroxinal; Thyroxine iodine; Thyreoideum; Levothyroxin; (-)-Thyroxine; L-Thyroxin; 3,5,3',5'-Tetraiodo-L-thyronine; Thyroxine (l); Levothyroxine sodium; DL-Thyroxin; levothroid; Levoxyl; Thyroxine (VAN); eltroxin; 3,5,3',5'-Tetraiodothyronine; Laevothyroxinum; T4 (Hormone); L-3,5,3',5'-Tetraiodothyronine; Levothyroxinum (acid); Laevothyroxinum (acid); Thryroxine, l-; Oroxine; Tetramet; Thyroxine I 125; Levo-T; Forthyron (TN); Laevoxin; Thyroxevan; Synthroid sodium; NSC 36397; Levothyroxinum; 3,3',5,5''-Tetraiodo-L-thyronine; CCRIS 6739; Henning; HSDB 3108; 3,5,3'5'-Tetraiodo-L-thyronine; UNII-Q51BO43MG4; Prestwick_548; Thyro-Tabs; CHEMBL1624; O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine; C15H11I4NO4; Q51BO43MG4; 51-48-9 (free); MFCD00002595; NCGC00164336-01; L-Thyroxine, 97+%; DSSTox_CID_3214; DSSTox_RID_76927; DSSTox_GSID_23214; Eutirox; SMR000059176; Levothyroxine (BAN); EINECS 200-101-1; Levothyroxine [INN:BAN]; Synthroid (*Sodium salt*); BRN 2228515; SR-01000759430; NSC-36397; L-Tyrosine,; Spectrum_001076; CPD000059176; L-Thyroxine, free acid; SpecPlus_000871; Prestwick0_000403; Prestwick1_000403; Prestwick2_000403; Prestwick3_000403; Spectrum2_000573; Spectrum3_000611; Spectrum4_000128; Spectrum5_001500; Thyroxine, L- (8CI); bmse000923; Epitope ID:123889; T-3850; L-Thyroxine (T4) solution; BIDD:PXR0161; Levothroid (*Sodium salt*); SCHEMBL23098; BSPBio_000326; BSPBio_002142; KBioGR_000516; KBioSS_001556; MLS000028647; MLS002548901; DivK1c_006967; SPECTRUM1500774; SPBio_000386; SPBio_002265; BPBio1_000360; GTPL2635; DTXSID8023214; CTK2H7538; KBio1_001911; KBio2_001556; KBio2_004124; KBio2_006692; KBio3_001642; KS-00000HDI; HMS1569A08; HMS1921I06; HMS2090P18; HMS2092K12; HMS2096A08; HMS2233J18; HMS3259M11; HMS3713A08; L-Thyroxine, >=98% (HPLC); Pharmakon1600-01500774; ZINC3830993; Tox21_112101; Tox21_302156; BDBM50301375; CCG-38738; NSC757434; s2599; AKOS015905129; Tox21_112101_1; AC-7504; AM83594; CS-1819; DB00451; NC00485; NSC-757434; SDCCGMLS-0066571.P001; 3,3'',5,5''-tetraiodo-L-thyronine; 3,5,3'',5''-tetraiodo-L-thyronine; NCGC00094852-03; NCGC00164336-02; NCGC00164336-03; NCGC00164336-04; NCGC00164336-05; NCGC00164336-06; NCGC00255368-01; AC-10465; HY-18341; SBI-0051608.P002; AB0010528; DB-006261; SW196731-3; C01829; D08125; J10324; O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-; AB00052176-08; AB00052176_09; AB00052176_10; 002T595; Q773449; SR-05000001567; SR-01000759430-2; SR-05000001567-1; BRD-K30685142-001-05-5; BRD-K30685142-001-08-9
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| Activity |
EC50 = 100000 nM
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[17] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 4 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
5-Cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3695718; SCHEMBL10086291; BDBM147139; US8957077, 1-9
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| Activity |
EC50 > 250000 nM
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[19] | |||
| Compound Name |
3-(((6-((5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1209170; SCHEMBL4283477; BDBM50323530
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| Activity |
EC50 = 390000 nM
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[20] | |||
| Compound Name |
4-(((6-((3-(2,6-Dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1209109; SCHEMBL2128576; BDBM50323524
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| Activity |
EC50 > 1282000 nM
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[20] | |||
| Compound Name |
4-(((6-((5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1209173; FXR agonist Cpd 22; SCHEMBL4324343; BDBM50323533; ZINC58559121; NCGC00386705-01; PX 20350
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| Activity |
EC50 = 3871000 nM
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[20] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Med Chem Lett. 2015 Jul 12;6(8):850-5. | ||||
| REF 2 | Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem. 2014 Mar 13;57(5):1855-79. | ||||
| REF 3 | The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor. Bioorg Med Chem Lett. 2018 Jul 1;28(12):2124-2130. | ||||
| REF 4 | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11-Hydroxysteroid Dehydrogenase Type 1 (11-HSD-1). ACS Med Chem Lett. 2014 May 22;5(7):803-8. | ||||
| REF 5 | Generation of 3,8-substituted 1,2,4-triazolopyridines as potent inhibitors of human 11-hydroxysteroid dehydrogenase type 1 (11-HSD-1). Bioorg Med Chem Lett. 2011 Jul 15;21(14):4146-9. | ||||
| REF 6 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem. 2017 Jun 22;60(12):4932-4948. | ||||
| REF 7 | Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett. 2017 Aug 1;27(15):3294-3300. | ||||
| REF 8 | Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119. J MedChem. 2014 Sep 25;57(18):7499-508. | ||||
| REF 9 | 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia. J Med Chem. 2012 Apr 12;55(7):2945-59. | ||||
| REF 10 | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem. 2017 May 25;60(10):4369-4385. | ||||
| REF 11 | Dimeric Macrocyclic Antagonists of Inhibitor of Apoptosis Proteins for the Treatment of Cancer. ACS Med Chem Lett. 2015 May 27;6(7):770-5. | ||||
| REF 12 | Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. J Med Chem. 2014 Sep 25;57(18):7550-64. | ||||
| REF 13 | Discovery of Tetralones as Potent and Selective Inhibitors of Acyl-CoA:Diacylglycerol Acyltransferase 1. ACS Med Chem Lett. 2018 Jan 16;9(2):103-108. | ||||
| REF 14 | Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11-hydroxysteroid dehydrogenase type 1 (11-HSD-1). Bioorg Med Chem Lett. 2011 Nov 15;21(22):6699-704. | ||||
| REF 15 | Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11-hydroxysteroid dehydrogenase type 1 (11-HSD1). Bioorg Med Chem Lett. 2014 Jan 15;24(2):654-60. | ||||
| REF 16 | Discovery of BMS-641988, a Novel Androgen Receptor Antagonist for the Treatment of Prostate Cancer. ACS Med Chem Lett. 2015 Jun 19;6(8):908-12. | ||||
| REF 17 | Identification of clinically used drugs that activate pregnane X receptors. Drug Metab Dispos. 2011 Jan;39(1):151-9. | ||||
| REF 18 | Discovery of Potent and Selective A 2A Antagonists with Efficacy in Animal Models of Parkinson's Disease and Depression. ACS Med Chem Lett. 2017 Jul 5;8(8):835-840. | ||||
| REF 19 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg Med Chem Lett. 2016 Jan 1;26(1):126-32. | ||||
| REF 20 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4911-7. | ||||
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