Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T49102 | Target Info | |||
| Target Name | NIMA-related kinase 2 (NEK2) | ||||
| Synonyms |
Serine/threonine-protein kinase Nek2; NimA-related protein kinase 2; NimA-like protein kinase 1; Never in mitosis A-related kinase 2; NLK1; NEK2A; HSPK 21
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| Target Type | Literature-reported Target | ||||
| Gene Name | NEK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 19 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(+/-)-5-(1H-Benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1689163; BDBM50339798; 2-Thiophenecarboxamide, 5-(1H-benzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]-
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-(Piperidin-1-yl)-5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1277384; BDBM50330600
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
4-(3-Amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)-3-methylbenzoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1277569; BDBM50330597
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
3-Methoxy-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1689161; BDBM50339796
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| Activity |
IC50 = 64400 nM
|
[1] | |||
| Compound Name |
2,3,6,8-Tetrahydroxy-1-methylxanthone
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Investigative | Compound Info | ||
| Synonyms |
Anomalin A; CHEMBL454440; 2,3,6,8-tetrahydroxy-1-methylxanthen-9-one; DTXSID601017507; BDBM50350424; ZINC14761282; MCULE-3078868213; NCGC00381290-01!2,3,6,8-tetrahydroxy-1-methylxanthen-9-one
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| Activity |
IC50 = 83900 nM
|
[3] | |||
| Compound Name |
5-(1H-Benzo[d]imidazol-1-yl)-3-methoxythiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1689162; BDBM50339797
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| Activity |
IC50 = 86000 nM
|
[1] | |||
| Compound Name |
Tert-Butyl 6-((2-Chloro-4-(Dimethylcarbamoyl)phenyl)amino)-2-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridine-1-Carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109933; SCHEMBL12526414; BDBM50446431; Q27456769
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(8S,16S)-3,16-Dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL456294; Calicoferol I; USFQLAVWHQCNDG-AYEIPMSGSA-; BDBM50358248; LMST03020180
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Calicoferol E
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL456936; (8S)-3-hydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one; BDBM50358246; LMST03020157
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
7-[[(1R,2S,4Ar,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-methoxy-2-methyl-1,3-benzoxazol-6-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109402; BDBM50446565
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Calicoferol C
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL515982; BDBM50358249
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL201511; SCHEMBL1155440; BDBM47167; CTK3C7420; DTXSID40468140; US8957103, Z1; 1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-; 3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
Calicoferol B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL464351; BDBM50358250
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
Astrogorgiadiol B
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Investigative | Compound Info | ||
| Synonyms |
ASTROGORGIADIOL; (8S,9R)-9,10-seco-1,3,5(10)-cholestatriene-3,9-diol; LMST03020242; CHEMBL517956; SCHEMBL4865385; BDBM50358247
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Calicoferol A
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Investigative | Compound Info | ||
| Synonyms |
(22E)-(8S)-3-hydroxy-9,10-seco-1,3,5(10),22-cholestatetraen-9-one; LMST03020605; CHEMBL518060; BDBM50358244
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
Rel-Astrogorgol F
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922224; BDBM50358243
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
24-Exomethylenecalicoferol E
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922225; BDBM50358245
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Norlichexanthone
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Investigative | Compound Info | ||
| Synonyms |
1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one; 9H-xanthen-9-one, 1,3,6-trihydroxy-8-methyl-; CHEMBL466154; 1,3,6-trihydroxy-8-methylxanthen-9-one; 1,3,6-trihydroxy-8-methyl-xanthen-9-one; 3,6,8-Trihydroxy-1-methylxanthone; Fusarindin; AC1NQYTV; Xanthen-9-one, 1,3,6-trihydroxy-8-methyl-; C10087; ACon0_000599; ACon1_001113; CTK4E4931; DTXSID20174777; 1,3,6-trihydroxy-8-methylxanthone; ZINC5765089; BDBM50350423; AKOS000365318; MCULE-8777096541; NCGC00169665-01; W2650; 1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one #; BRD-K97951054-001-01-6; Q27107546; NCGC00169665-03!1,3,6-trihydroxy-8-methylxanthen-9-one
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-Methyl-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4061228; BDBM50235009
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|
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| Activity |
IC50 = 197000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-(7-Chloroimidazo[1,2-a]pyridin-3-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4091915; BDBM50235008
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| Activity |
IC50 > 200000 nM
|
[8] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship. J Med Chem. 2011 Mar 24;54(6):1626-39. | ||||
| REF 2 | Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. J Med Chem. 2010 Nov 11;53(21):7682-98. | ||||
| REF 3 | Arthrinins A-D: novel diterpenoids and further constituents from the sponge derived fungus Arthrinium sp. Bioorg Med Chem. 2011 Aug 1;19(15):4644-51. | ||||
| REF 4 | Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1). J Med Chem. 2013 Dec 27;56(24):10045-65. | ||||
| REF 5 | 9,10-secosteroids, protein kinase inhibitors from the Chinese gorgonian Astrogorgia sp. Bioorg Med Chem. 2011 Nov 15;19(22):6873-80. | ||||
| REF 6 | Cytotoxic and protein kinase inhibiting nakijiquinones and nakijiquinols from the sponge Dactylospongia metachromia. J Nat Prod. 2014 Feb 28;77(2):218-26. | ||||
| REF 7 | Profile and molecular modeling of 3-(indole-3-yl)-4-(3,4,5-trimethoxyphenyl)-1 H-pyrrole-2,5-dione (1) as a highly selective VEGF-R2/3 inhibitor. J Med Chem. 2006 Dec 14;49(25):7549-53. | ||||
| REF 8 | Structure-based design and synthesis of imidazo[1,2-a]pyridine derivatives as novel and potent Nek2 inhibitors with in vitro and in vivo antitumor activities. Eur J Med Chem. 2017 Jan 27;126:1083-1106. | ||||
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