Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T53389 | Target Info | |||
| Target Name | TGF-beta receptor type I (TGFBR1) | ||||
| Synonyms |
Type I TGFbeta receptor kinase; Transforming growth factor-beta receptor type I; TbetaRI; TbetaR-I; TGFR-1; TGF-beta type I receptor; TGF-beta receptor type-1; Serine/threonine-protein kinase receptor R4; SKR4; Activin receptor-like kinase 5; Activin A receptor type II-like protein kinase of 53kD; ALK5; ALK-5
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| Target Type | Clinical trial Target | ||||
| Gene Name | TGFBR1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
3-(4-Fluorophenyl)-2-(3-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL6294; BDBM50110207; ZINC13472528; 3-(4-Fluoro-phenyl)-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
5-(4-Fluorophenyl)-6-(pyridin-4-yl)hexahydroimidazo[2,1-b]thiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL566440; BDBM50301164
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
5-(4-Fluorophenyl)-6-(4-pyridyl)-2,3-dihydroimidazo[2,1-b]thiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL266707; SKF-86055; 5-(4-Fluorophenyl)-6-(4-pyridyl)-2,3-dihydroimidazo(2,1-b)thiazole; Imidazo(2,1-b)thiazole, 5-(4-fluorophenyl)-2,3-dihydro-6-(4-pyridinyl)-; Imidazo[2,1-b]thiazole, 5-(4-fluorophenyl)-2,3-dihydro-6-(4-pyridinyl)-; SCHEMBL7378916; CTK5D6972; DTXSID30223169; HMS3303D05; HMS3305I22; ZINC5933447; BDBM50110204; 5-(4-fluorophenyl)-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole; NCGC00241955-01; AB01092259-01; 5-(4-Fluoro-phenyl)-6-pyridin-4-yl-2,3-dihydro-imidazo[2,1-b]thiazole; 5-(4-Fluorophenyl)-6-(4-pyridyl)-2,3-dihydroimidazo(2,1-b)-thiazole
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
4-[1-(6-Methylpyridin-2-yl)-5-quinoxalin-6-yltriazol-4-yl]butan-1-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2324829; BDBM50426935
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| Activity |
IC50 = 50800 nM
|
[3] | |||
| Compound Name |
4-(3-Hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL593965; SCHEMBL373670; BDBM50304842; ZINC45354670; 4-(3-hydroxyphenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki = 53000 nM
|
[4] | |||
| Compound Name |
4-(2-Hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL605302; SCHEMBL373738; BDBM50304841; ZINC45387626
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| Activity |
Ki = 77000 nM
|
[4] | |||
| Compound Name |
COc1cc(cc(OC)c1OC)c2cc(cnc2OC)c3ccc(cc3)N4CCNCC4
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3341790; SCHEMBL17110783; BDBM50056682
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| Activity |
IC50 = 82000 nM
|
[5] | |||
| Compound Name |
Coc1=CC=C(C=C1)C=1C(=NC=C(C1)C1=CC=C(C=C1)N1ccncc1)N
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3341950; SCHEMBL17110797; BDBM50056686
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| Activity |
IC50 = 95000 nM
|
[5] | |||
| Compound Name |
COc1cc(cc(OC)c1OC)c2cc(cnc2Cl)c3ccc(cc3)N4CCNCC4
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3341788; SCHEMBL19064246; BDBM50056681
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| Activity |
IC50 = 99000 nM
|
[5] | |||
| Compound Name |
Nc1ncc(cc1c2cccc3ncccc23)c4ccc(cc4)N5CCNCC5
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3341793; SCHEMBL19064248; BDBM50056679
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| Activity |
IC50 = 99000 nM
|
[5] | |||
| Compound Name |
COc1cc(cc(OC)c1OC)c2cc(cnc2N(C)C)c3ccc(cc3)N4CCNCC4
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3341955; SCHEMBL19064254; BDBM50056688
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| Activity |
IC50 = 115000 nM
|
[5] | |||
| Compound Name |
4-(3-Aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL603851; SCHEMBL373191; BDBM50304845; ZINC45388574; 4-(3-aminophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki = 130000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-(1,2-Dimethyl-3-oxo-5-quinoxalin-6-yl-2,3-dihydro-1H-pyrazol-4-yl)-benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL603853; SCHEMBL373185; BDBM50304847; ZINC45388578; 2-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)benzonitrile; 2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)benzonitrile
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| Activity |
Ki = 450000 nM
|
[4] | |||
| Compound Name |
4-(4-Aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL594372; SCHEMBL373721; BDBM50304846; 4-(4-aminophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki = 640000 nM
|
[4] | |||
| Compound Name |
4-(4-Hydroxyphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL603423; SCHEMBL373196; BDBM50304843; ZINC45390281
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| Activity |
Ki = 950000 nM
|
[4] | |||
| Compound Name |
4-(2-Aminophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL606695; SCHEMBL372749; BDBM50304844; ZINC45384935; 4-(2-aminophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki = 952000 nM
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[4] | |||
| Compound Name |
4-(3-Isopropylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL595351; SCHEMBL373493; BDBM50304851; 1,2-dimethyl-4-(3-propan-2-ylphenyl)-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki > 2800000 nM
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[4] | |||
| Compound Name |
4-(3-(Aminomethyl)phenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL596468; SCHEMBL373685; BDBM50304857; 4-[3-(aminomethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
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| Activity |
Ki > 2800000 nM
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[4] | |||
| Compound Name |
N-(3-(1,2-Dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)ethanesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL594409; SCHEMBL373338; BDBM50304867; N-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]ethanesulfonamide
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| Activity |
Ki > 2800000 nM
|
[4] | |||
| Compound Name |
3-(1,2-Dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL593227; SCHEMBL373851; BDBM50304860; 3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)benzamide
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| Activity |
Ki > 2800000 nM
|
[4] | |||
| Compound Name |
1-(3-(1,2-Dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)-3-methylurea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL593458; SCHEMBL416190; BDBM50304868; 1-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]-3-methylurea
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| Activity |
Ki > 2800000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of novel inhibitors of the transforming growth factor beta1 (TGF-beta1) type 1 receptor (ALK5). J Med Chem. 2002 Feb 28;45(5):999-1001. | ||||
| REF 2 | Pharmacophore modeling and virtual screening for the discovery of new transforming growth factor-beta type I receptor (ALK5) inhibitors. Eur J Med Chem. 2009 Nov;44(11):4259-65. | ||||
| REF 3 | Synthesis and biological evaluation of 1-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)-1,2,3-triazoles as transforming growth factor- type 1 receptor kinase inhibitors. Bioorg Med Chem Lett. 2013 Feb 15;23(4):1083-6. | ||||
| REF 4 | Pyrazolone based TGFbetaR1 kinase inhibitors. Bioorg Med Chem Lett. 2010 Jan 1;20(1):326-9. | ||||
| REF 5 | Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15. | ||||
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