Reaction Details Report a problem with these data
Target
TGF-beta receptor type-1
Ligand
BDBM50564604
Substrate
n/a
Meas. Tech.
ChEMBL_2088444 (CHEMBL4769707)
IC50
136±n/a nM
Citation
 Xu, G; Zhang, Y; Wang, H; Guo, Z; Wang, X; Li, X; Chang, S; Sun, T; Yu, Z; Xu, T; Zhao, L; Wang, Y; Yu, W Synthesis and biological evaluation of 4-(pyridin-4-oxy)-3-(3,3-difluorocyclobutyl)-pyrazole derivatives as novel potent transforming growth factor-? type 1 receptor inhibitors. Eur J Med Chem 198:0 (2020) [PubMed]  Article 
Target
Name:
TGF-beta receptor type-1
Synonyms:
2.7.11.30 | ALK5 | AU017197 | ESK2 | TGF-beta receptor type I | TGF-beta receptor type-1 | TGFR-1 | TGFR1_MOUSE | TbetaR-I | Tgfbr1 | Transforming growth factor-beta receptor type I
Type:
n/a
Mol. Mass.:
56186.39
Organism:
Mus musculus
Description:
n/a
Residue:
503
Sequence:
MEAAAAAPRRPQLLIVLVAAATLLPGAKALQCFCHLCTKDNFTCETDGLCFVSVTETTDKVIHNSMCIAEIDLIPRDRPFVCAPSSKTGAVTTTYCCNQDHCNKIELPTTGPFSEKQSAGLGPVELAAVIAGPVCFVCIALMLMVYICHNRTVIHHRVPNEEDPSLDRPFISEGTTLKDLIYDMTTSGSGSGLPLLVQRTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM
  
Inhibitor
Name:
BDBM50564604
Synonyms:
CHEMBL4797447
Type:
Small organic molecule
Emp. Form.:
C26H33N5O3
Mol. Mass.:
463.5719
SMILES:
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3C3CCC(C)(O)CC3)C3CC3)ccn2)ccn1 |(61.39,-54.15,;60.06,-53.38,;60.06,-54.92,;58.53,-53.23,;60.97,-52.13,;62.5,-52.29,;63.39,-51.05,;64.93,-51.21,;65.84,-49.96,;65.21,-48.55,;66.13,-47.3,;65.5,-45.89,;66.41,-44.64,;67.95,-44.64,;68.43,-43.19,;67.18,-42.27,;65.94,-43.19,;64.48,-42.72,;64.16,-41.22,;62.71,-40.74,;61.56,-41.76,;60.8,-40.43,;60.03,-41.76,;61.88,-43.27,;63.34,-43.75,;69.9,-42.71,;71.41,-43.03,;70.93,-41.56,;67.66,-47.46,;68.28,-48.87,;67.38,-50.13,;62.78,-49.64,;61.25,-49.47,;60.33,-50.71,)|
Structure:
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