Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31989 | Target Info | |||
| Target Name | Sphingosine kinase 2 (SPHK2) | ||||
| Synonyms |
SPK 2; SK 2
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| Target Type | Clinical trial Target | ||||
| Gene Name | SPHK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 37 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
VPC-94075
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|
Investigative | Compound Info | ||
| Synonyms |
Sphingosine kinase inhibitor (vascular disease); Sphingosine kinase inhibitor (vascular disease), University of Virgina
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| Activity |
Ki = 50000 nM
|
[1] | |||
| Compound Name |
SK1-I
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Investigative | Compound Info | ||
| Synonyms |
BML-258
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Compound Name |
8-[(2R)-1-(3,5-Difluorophenyl)pyrrolidin-2-yl]-6-(morpholine-4-carbonyl)-2-morpholino-chromen-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4060768; SCHEMBL13276616; HY-101517; CS-0021620
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
N-[(E)-[3-[(2-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3815035; BDBM50178412
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| Activity |
IC50 = 58790 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(4-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814091; BDBM50178433
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| Activity |
IC50 = 61200 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(4-Tert-butylphenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814622; BDBM50178434
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| Activity |
IC50 = 62170 nM
|
[1] | |||
| Compound Name |
3-{[4-(2-Hydroxyethyl)phenyl]amino}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
Oprea1_141335; CHEMBL3736205; STK047106; AKOS000589834; AKOS022081073; MCULE-4606669724; ST50283217; J3.514.751I; AG-205/14552015; SR-01000530252; SR-01000530252-1; 1-(p-Propoxyphenyl)-3-(p-(2-hydroxyethyl)anilino)pyrrolidine-2,5-dione; 3-[4-(2-hydroxyethyl)anilino]-1-(4-propoxyphenyl)-2,5-pyrrolidinedione; 3-{[4-(2-hydroxyethyl)phenyl]amino}-1-(4-propoxyphenyl)azolidine-2,5-dione
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| Activity |
IC50 = 62600 nM
|
[4] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814930; BDBM50178405
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| Activity |
IC50 = 65380 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(3-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814059; BDBM50178413
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| Activity |
IC50 = 67370 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(2-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814989; BDBM50178435
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|
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| Activity |
IC50 = 68550 nM
|
[1] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814845; BDBM50178365
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|
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| Activity |
IC50 = 78690 nM
|
[1] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814691; BDBM50178364
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|
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| Activity |
IC50 = 81170 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(2-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814912; BDBM50178409
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|
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| Activity |
IC50 = 98900 nM
|
[1] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814603; BDBM50178357
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
[(2S)-1-[[4-[2-Methyl-3-[[(2R)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4088607; BDBM50237414
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
N-[(E)-[3-[(3-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3815047; BDBM50178436
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813800; BDBM50178548
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813749; BDBM50178353
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
[(2S)-1-[[4-[2-Methyl-3-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064624; BDBM50237415
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(2R)-1-[[4-[2-Methyl-3-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067356; BDBM50237434
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814087; BDBM50178359
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(E,2R,3S)-5-(4-Butylphenyl)-2-(methylamino)pent-4-ene-1,3-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2409758; BDBM50438114
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814450; BDBM50178355
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814524; BDBM50178503
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813816; BDBM50178358
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813857; BDBM50178407
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(3-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813986; BDBM50178410
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3815019; BDBM50178362
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813737; BDBM50178505
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814697; BDBM50178361
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814312; BDBM50178441
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-[(E)-[3-[(4-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814271; BDBM50178411
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-cyclohexylacetamide
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|
Investigative | Compound Info | ||
| Synonyms |
MLS001029919; n-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-n-cyclohexylacetamide; SMR000426871; CB5468139; N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-cyclohexyl-acetamide; NSC136218; cid_282594; CHEMBL1526855; SCHEMBL17250116; BDBM50600; DTXSID601004645; HMS2792H20; ZINC431428; STL328801; AKOS022097201; MCULE-3542704703; NSC-136218; AB00085993-01; SR-01000209792; SR-01000209792-1; BRD-K37837360-001-07-6; N-(3-chloro-1,4-diketo-2-naphthyl)-N-cyclohexyl-acetamide; N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-cyclohexylacetamide; N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-cyclohexyl-ethanamide
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814178; BDBM50178610
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814396; BDBM50178354
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N'-{(E)-[3-(Benzyloxy)phenyl]methylidene}-1H-benzimidazole-6-carbohydrazide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814344; BDBM50178504; STL333307; AKOS002270303; ST50177468; N-{(1E)-2-[3-(phenylmethoxy)phenyl]-1-azavinyl}benzimidazol-6-ylcarboxamide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814952; BDBM50178609
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-3-(Dimethylamino)-1-tetradecoxybutan-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3134156; BDBM50496603
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| Activity |
IC50 = 300000 nM
|
[8] | |||
| Compound Name |
Spisulosine
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Investigative | Compound Info | ||
| Synonyms |
1-deoxysphinganine; 1-deoxy-sphinganine; (2S,3R)-2-aminooctadecan-3-ol; UNII-ZX5D253CYY; ES-285; 2S-amino-octadecan-3R-ol; ZX5D253CYY; 3-Octadecanol, 2-amino-, (2S,3R)-; CHEMBL1835439; (+)-Spisulosine; Spisulosine 285; 2S-Amino-3R-octadecanol; Spisulosine [WHO-DD]; 1-deoxysphinganine (0); 3-Octadecanol, 2-amino-, (R-(R*,S*))-; SCHEMBL5654343; CTK0E0888; DTXSID30432931; (2S, 3R)-2-amino-3-octadecanol; BDBM50496601; LMSP01080032; (2S,3R)-2-amino-3-hydroxyoctadecane; Q27135623; 1-deoxysphinganine, 1-deoxysphinganine (m18:0), powder
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| Activity |
IC50 = 766000 nM
|
[8] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of hydroxy-based sphingosine kinase inhibitors and anti-inflammation in dextran sodium sulfate induced colitis in mice. Bioorg Med Chem. 2016 Jul 15;24(14):3218-30. | ||||
| REF 2 | Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors. J Med Chem. 2015 Feb 26;58(4):1879-1899. | ||||
| REF 3 | Discovery of a series of 8-(1-phenylpyrrolidin-2-yl)-6-carboxamide-2-morpholino-4H-chromen-4-one as PI3K/ inhibitors for the treatment of PTEN-deficient tumours. Bioorg Med Chem Lett. 2017 May 1;27(9):1949-1954. | ||||
| REF 4 | Discovery of novel sphingosine kinase 1 inhibitorsvia structure-based hierarchical virtual screening. Medchemcomm. 2015;6:413-7. | ||||
| REF 5 | Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits. J Med Chem. 2017 Mar 23;60(6):2562-2572. | ||||
| REF 6 | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4608-16. | ||||
| REF 7 | Identification of selective inhibitors of sphingosine kinases 1 and 2 through a structure-activity relationship study of 4-epi-jaspine B. Bioorg Med Chem. 2017 Jun 15;25(12):3046-3052. | ||||
| REF 8 | Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells. Medchemcomm. 2013;4(10):10.1039/C3MD00201B. | ||||
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