Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91761 | Target Info | |||
| Target Name | T-cell-specific kinase (ITK) | ||||
| Synonyms |
Tyrosine kinase ITK; Inducible T cell kinase; EMT
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| Target Type | Clinical trial Target | ||||
| Gene Name | ITK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 37 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-(4-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)pyrimidin-2-yl)-4-(dimethylamino)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL204515; BDBM50182858
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
p38 MAP Kinase Inhibitor IX
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL259922; Kinome_3519; SCHEMBL16576573; CTK8G2239; BDBM50376226; 4-methyl-N-(1,2-oxazol-3-yl)-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
1-(4-(3-(2-(Pyridin-3-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL211035; BDBM50186481
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
N-(5-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)-4H-1,2,4-triazol-3-yl)-4-(dimethylamino)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL380082; BDBM50182826
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(4-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)-1,3,5-triazin-2-yl)-4-(dimethylamino)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208254; BDBM50182868
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(3-(6-Methyl-1H-indol-2-yl)-1H-indazol-6-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1684515; BDBM50338062; ZINC66073696
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
N-(6-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)benzo[d]thiazol-2-yl)-4-(dimethylamino)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208265; BDBM50182834
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-[(E)-4-[4-(2-aminoethyl)piperazin-1-yl]but-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179780; BDBM50399462
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
N-(5-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)-4-methylthiazol-2-yl)-4-(dimethylamino)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208165; BDBM50182838
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(5-(3-(1-Acetylpiperazine-4-carbonyl)benzylsulfinyl)thiazol-2-yl)-4-(dimethylamino)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL207830; BDBM50182830
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-(5-(3-(1-Acetylpiperazine-4-carbonyl)benzylthio)-1,3,4-thiadiazol-2-yl)-4-(dimethylamino)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL205959; BDBM50182854
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-[[5-Cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-4-methyl-N-(1,2-oxazol-3-yl)benzamide; CHEMBL383172; 5-Cyanopyrimidine Derivative 3b; SCHEMBL16576397; BDBM16326; 3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
4-(Dimethylamino)-N-[5-({[3-(phenylcarbamoyl)phenyl]methyl}sulfanyl)-1,3-thiazol-2-yl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL426499; BDBM50182824
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Cyclopropyl-2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5-yl)methylamino)benzamide
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Investigative | Compound Info | ||
| Synonyms |
BMS-605541; CHEMBL377734; BMS 605541; SCHEMBL2861987; BDBM50189603; AKOS034831603
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| Activity |
IC50 ~ 50000 nM
|
[7] | |||
| Compound Name |
4-(Dimethylamino)-N-{5-[({3-[(2-acetamidoethyl)carbamoyl]phenyl}methyl)sulfanyl]-1,3-thiazol-2-yl}benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208353; BDBM50182847
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|
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
5-Amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1290746; SCHEMBL14097139; BDBM50331629
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|
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
N-(3-(6-Methyl-1H-indol-2-yl)-1H-indazol-6-yl)cyclohexanecarboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1684514; BDBM50338061; ZINC66075786
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|
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
2-(5-Benzyl-1H-pyrazol-3-yl)-3-[(4-hydroxybutylamino)methyl]-N-methyl-1H-indole-6-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165417; BDBM50320985
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| Activity |
IC50 = 50100 nM
|
[9] | |||
| Compound Name |
1-[(3R)-3-[4-Amino-3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180203; BDBM50399515
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|
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| Activity |
IC50 = 52458 nM
|
[5] | |||
| Compound Name |
3-[1-(1-Acetylpiperidin-3-yl)-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-tert-butylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179791; BDBM50399465
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|
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| Activity |
IC50 = 53650 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-[(E)-4-hydroxybut-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179821; BDBM50399476
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|
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| Activity |
IC50 = 65000 nM
|
[5] | |||
| Compound Name |
1-[(3R)-3-[4-Amino-3-(3-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179793; BDBM50399500
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[1-[(3R)-1-Acetylpiperidin-3-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-N-[(4-tert-butylphenyl)methyl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2177131; BDBM50399464
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-methyl-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179817; BDBM50399480
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-(2-methylprop-2-enoyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179819; BDBM50399478
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[1-[(3R)-1-Acetylpiperidin-3-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179787; BDBM50399467
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
1-[(3R)-3-[4-Amino-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179792; BDBM50399501
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-cyanopiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179783; BDBM50399472
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-[(E)-4-piperazin-1-ylbut-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179823; BDBM50399474
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[1-(1-Acetylpiperidin-3-yl)-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179789; BDBM50399466
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pentan-3-ylbenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179814; BDBM50399482
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-(Hydroxymethyl)-N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1164565; BDBM50320993; 3-Hydroxymethyl-2-(4-phenyl-1H-pyrazol-3-yl)-1Hindole-6-carboxylic acid isobutyl-methyl-amide
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
3-[(3-Hydroxypropylamino)methyl]-N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1165616; BDBM50320986
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
3-[1-[(3R)-1-Acetylpiperidin-3-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-N-benzylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179785; BDBM50399469
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-(3-methylbut-2-enoyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179820; BDBM50399477
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-[(E)-but-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179818; BDBM50399479
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[4-Amino-1-[(3R)-1-but-2-ynoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2179782; BDBM50399473
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and SAR of 2-amino-5-[(thiomethyl)aryl]thiazoles as potent and selective Itk inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2411-5. | ||||
| REF 2 | Pyrazolo-pyrimidines: a novel heterocyclic scaffold for potent and selective p38 alpha inhibitors. Bioorg Med Chem Lett. 2008 Apr 15;18(8):2652-7. | ||||
| REF 3 | 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 4 | Optimisation of ITK inhibitors through successive iterative design cycles. Bioorg Med Chem Lett. 2011 Mar 15;21(6):1852-6. | ||||
| REF 5 | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J Med Chem. 2012 Nov 26;55(22):10047-63. | ||||
| REF 6 | 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. J Med Chem. 2005 Oct 6;48(20):6261-70. | ||||
| REF 7 | Discovery and evaluation of N-cyclopropyl- 2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5- ylmethyl)amino)benzamide (BMS-605541), a selective and orally efficacious inhibitor of vascular endothelial growth factor receptor-2. J Med Chem. 2006 Jun 29;49(13):3766-9. | ||||
| REF 8 | 5-amino-pyrazoles as potent and selective p38alpha inhibitors. Bioorg Med Chem Lett. 2010 Dec 1;20(23):6886-9. | ||||
| REF 9 | Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK). Bioorg Med Chem. 2010 Jun 15;18(12):4547-59. | ||||
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