Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99057 | Target Info | |||
| Target Name | HUMAN ERK activator kinase 1 (MEK1) | ||||
| Synonyms |
PRKMK1; Mitogen-activated protein kinase kinase 1; MKK1; MEK 1; MAPKK 1; MAPK/ERKkinase 1; MAPK/ERK kinase 1; MAP kinase kinase 1; Dual specificity mitogen-activated protein kinase kinase 1
Click to Show/Hide
|
||||
| Gene Name | MAP2K1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 24 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PD173074
Click to Show/Hide
|
Phase 2 | Compound Info | ||
| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(7-Methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL357756; CHEMBL3822972; BDBM206104; DB-085143; US9255110, 17
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
N~3~-Cyclopropyl-N~4~'-(Cyclopropylmethyl)-6-Methylbiphenyl-3,4'-Dicarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
N~3~-Cyclopropyl-N~4~'-(Cyclopropylmethyl)-6-Methylbiphenyl-3,4'-Dicarboxamide; CHEMBL478649; N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide; SCHEMBL6744546; ZINC3961852; BDBM50263093; DB07835; Q27097044; N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide; N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide; N3-cyclopropyl-N4''-(cyclopropylmethyl)-6-methylbiphenyl-3,4''-dicarboxamide; N3-Cyclopropyl-N4'-cyclopropylmethyl-6-methyl-1,1'-biphenyl-3,4'-dicarboxamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
4-Methyl-3-[3-(methylsulfamoylamino)anilino]-7-pyrimidin-2-yloxychromen-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3264003; SCHEMBL959114; BDBM50010474
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
[4-Methyl-3-[[5-(methylsulfamoylamino)pyridin-3-yl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3263997; BDBM50010468
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
N-Cyclopropyl-4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL497563; SCHEMBL3522859; BDBM50265371; N-cyclopropyl-4-methyl-3-(3-piperidin-4-yl-1,2-benzoxazol-6-yl)benzamide; N-Cyclopropyl-4-methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(8S,16S)-3,16-Dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456294; Calicoferol I; USFQLAVWHQCNDG-AYEIPMSGSA-; BDBM50358248; LMST03020180
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Calicoferol E
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456936; (8S)-3-hydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one; BDBM50358246; LMST03020157
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[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
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109402; BDBM50446565
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Methyl 3-[[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxybenzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109404; 18-Hydroxy-5-epi-hyrtiophenol; BDBM50446564
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(4S,6E,12Z)-18-Hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1668420; BDBM50336460; (S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5,6,7,8,11,12,13,14-octahydrobenzo[14]annulene
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2,3,6,8-Tetrahydroxy-1-methylxanthone
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Calicoferol C
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL515982; BDBM50358249
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Calicoferol B
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL464351; BDBM50358250
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(3S,5E)-1-Methyl-3-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylidene)piperidin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2338335; BDBM50431025
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(3R,5E)-1-Methyl-3-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylidene)piperidin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2338334; BDBM50431026
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Calicoferol A
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
(22E)-(8S)-3-hydroxy-9,10-seco-1,3,5(10),22-cholestatetraen-9-one; LMST03020605; CHEMBL518060; BDBM50358244
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
2-Amino-7-methyl-4-[(4-methylphenyl)methylamino]-9H-pyrimido[4,5-b]indol-6-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4098682; BDBM50242512
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
Chembl4276946
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
GTPL9965; compound 3a [Pipionne et al, 2018]; 1-[5-amino-4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
Rel-Astrogorgol F
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922224; BDBM50358243
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
4-Methyl-5,6,7-trihydroxy-1,3-dihydroisobenzofuran-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104854; BDBM50445475
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
24-Exomethylenecalicoferol E
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922225; BDBM50358245
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Norlichexanthone
Click to Show/Hide
|
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
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
7-Choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391618; BDBM50491987; Q27455704; 7-chloro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 157000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
3-Amino-1H-indazole-4-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391619; 1H-Indazole-4-carbonitrile, 3-amino-; SCHEMBL186113; CTK8C3317; KS-00000QVE; DTXSID20708410; ANW-69944; BDBM50491984; MFCD20486223; ZINC82046794; AKOS016001933; FS-3626; MP-1413; AK100766; DA-24337; CS-0043919; FT-0754817; Z4012; Q27467818
Click to Show/Hide
|
||||
| Activity |
IC50 = 300000 nM
|
[13] | |||
| Compound Name |
6-[[(3R)-Piperidin-3-yl]methoxy]-2H-isoquinolin-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391615; SCHEMBL8934670; BDBM50491986
Click to Show/Hide
|
||||
| Activity |
IC50 = 491000 nM
|
[13] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase. J Med Chem. 2012 Jun 14;55(11):5003-12. | ||||
| REF 2 | Identification of a selective inhibitor of transforming growth factor -activated kinase 1 by biosensor-based screening of focused libraries. Bioorg Med Chem Lett. 2017 Feb 15;27(4):1031-1036. | ||||
| REF 3 | Kinase array design, back to front: biaryl amides. Bioorg Med Chem Lett. 2008 Oct 1;18(19):5285-9. | ||||
| REF 4 | Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett. 2014 Jan 22;5(4):309-14. | ||||
| 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 | Isosteric replacement of the Z-enone with haloethyl ketone and E-enone in a resorcylic acid lactone series and biological evaluation. Bioorg Med Chem Lett. 2011 Feb 15;21(4):1167-70. | ||||
| REF 8 | 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 9 | Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties. J Med Chem. 2013 May 9;56(9):3456-66. | ||||
| REF 10 | Discovery of novel substituted benzo-anellated 4-benzylamino pyrrolopyrimidines as dual EGFR and VEGFR2 inhibitors. Bioorg Med Chem Lett. 2017 Jun 15;27(12):2708-2712. | ||||
| REF 11 | N-Acetyl-3-aminopyrazoles block the non-canonical NF-kB cascade by selectively inhibiting NIK. Medchemcomm. 2018 Apr 12;9(6):963-968. | ||||
| REF 12 | Protein kinase and HDAC inhibitors from the endophytic fungus Epicoccum nigrum. J Nat Prod. 2014 Jan 24;77(1):49-56. | ||||
| REF 13 | The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1. Bioorg Med Chem Lett. 2013 Jun 15;23(12):3620-6. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.