Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23276 | Target Info | |||
| Target Name | Extracellular signal-regulated kinase 1 (ERK1) | ||||
| Synonyms |
PRKM3; P44-MAPK; P44-ERK1; P44 Mitogen-activated protein kinase; Mitogen-activated protein kinase 3; Microtubule-associated protein-2 kinase; Microtubule-associated protein 2 kinase; MAPK 3; MAP kinase isoform p44; MAP kinase 3; Insulin-stimulated MAP2 kinase; ERT2; ERK-1
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| Target Type | Clinical trial Target | ||||
| Gene Name | MAPK3 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 14 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
R547
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Discontinued in Phase 1 | Compound Info | ||
| Synonyms |
LIA; R-547; [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
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| Activity |
Ki ~ 50000 nM
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[1] | |||
| Compound Name |
BMS-509744
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Investigative | Compound Info | ||
| Synonyms |
BMS-509744; 439575-02-7; BMS 509744; CHEMBL209148; N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide; N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide; GTPL9994; SCHEMBL14460651; KS-00001CVA; CHEBI:91404; MolPort-039-101-283; C32H41N5O4S2; BMS509744; BDBM50186460; 3499AH; compound 3 [PMID:16682193]; AKOS025142036; NCGC00229512-02; NCGC00229512-01
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
NSC-686549
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Investigative | Compound Info | ||
| Synonyms |
NSC686549
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| Activity |
IC50 = 82900 nM
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[3] | |||
| Compound Name |
AM7
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Investigative | Compound Info | ||
| Synonyms |
pyrimidone, 22; AM 7; AM-7
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
6-(1,9-Diazaspiro[5.5]undecan-9-Yl)-9h-Purine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2420909; BDBM50439464; 9-(9H-purin-6-yl)-1,9-diazaspiro[5.5]undecane; Q27465376; SIJ
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| Activity |
IC50 = 60000 nM
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[5] | |||
| Compound Name |
9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2,6-diamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77155; BDBM50113679
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| Activity |
IC50 = 90000 nM
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[6] | |||
| Compound Name |
(4S,6E)-18-Hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1668419; BDBM50336461
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
1-(2-Hydroxy-2-methylpropyl)-N-(5-((7-methoxyquinolin-4-yl)oxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
AMG-458; AMG 458; AMG458; UNII-4535RW5Y3A; 4535RW5Y3A; C30H29N5O5; Substituted Pyrazolone, 17; cc-602; MLS006010963; SCHEMBL197714; CHEMBL460472; BDBM24466; AMG-458,AMG458; DTXSID80238521; SYN1144; AMG458/AMG-458/; HMS3656H21; BCP01917; EX-A2447; 2209AH; ABP000135; s2747; ZINC43194549; AKOS027422876; CCG-269954; SB19374; NCGC00346670-01; NCGC00346670-05; AS-16283; HY-14723; SMR004702767; AMG-458(AMG458;AMG 458); CS-0003527; FT-0752842; SW220166-1; Z-3256; Q27258802
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| Activity |
IC50 = 100000 nM
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[8] | |||
| Compound Name |
5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
AMG-51; pyrimidone, 51; AMG51; CHEMBL453737; SCHEMBL2868963; AMG-51;AMG 51; BDBM24769; SYN1111; C34H33F2N5O5; BCP21618; ZINC43178754; NCGC00263201-01; NCGC00263201-02; AS-16255
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Aminopyrimidine amide, 13b
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL272888; SCHEMBL2943385; BDBM26369
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
Meridianin E
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Investigative | Compound Info | ||
| Synonyms |
3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol; CHEMBL296682; SCHEMBL2787193; BDBM10842
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| Activity |
IC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Lck Inhibitor
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Investigative | Compound Info | ||
| Synonyms |
TC-S 7003; CHEMBL410295; SCHEMBL5235694; C31H30N8O; 4090AH; BDBM50374608; ZINC53214756; AKOS024457690; CS-1448; NCGC00378811-02; HY-12072; W-5787; Q27457537
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(4S,6E,12E)-18-Hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1668418; BDBM50336459
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
4(3H)-Pyrimidinone,2-[(4-fluorophenyl)amino]-5-[5-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]-2-pyridinyl]-3-methyl-
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Investigative | Compound Info | ||
| Synonyms |
pyrimidone, 62; CHEMBL447602; SCHEMBL13511902; BDBM24772; ZINC43202030
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Ro-0505124
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Investigative | Compound Info | ||
| Synonyms |
RO0505124
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| Activity |
IC50 > 100000000 nM
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[12] | |||
| Compound Name |
N-(4-Methoxybenzyl)benzofuro[2,3-b]pyridin-4-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1290072; BDBM50331612
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| Activity |
Ki > 1000000 nM
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[13] | |||
| Compound Name |
[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1956069; SCHEMBL5741716; HMS3401E09; BDBM50365217; Ro-0506220; [4-amino-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
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| Activity |
IC50 > 100000000 nM
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[12] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity. J Med Chem. 2006 Nov 2;49(22):6549-60. | ||||
| REF 2 | Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3706-12. | ||||
| REF 3 | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8. | ||||
| REF 4 | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J Med Chem. 2008 Sep 25;51(18):5766-79. | ||||
| REF 5 | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg Med Chem. 2013 Sep 15;21(18):5707-24. | ||||
| REF 6 | Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes. J Med Chem. 2002 Jun 6;45(12):2366-78. | ||||
| 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 | Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series. J Med Chem. 2012 Mar 8;55(5):1868-97. | ||||
| REF 9 | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J Med Chem. 2008 Mar 27;51(6):1681-94. | ||||
| REF 10 | Meridianins, a new family of protein kinase inhibitors isolated from the ascidian Aplidium meridianum. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1703-7. | ||||
| REF 11 | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem. 2008 Mar 27;51(6):1637-48. | ||||
| REF 12 | Inhibition of S/G2 phase CDK4 reduces mitotic fidelity. J Biol Chem. 2006 Apr 14;281(15):9987-95. | ||||
| REF 13 | Discovery and selectivity-profiling of 4-benzylamino 1-aza-9-oxafluorene derivatives as lead structures for IGF-1R inhibitors. Bioorg Med Chem Lett. 2010 Dec 1;20(23):6915-9. | ||||
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