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Target
TGF-beta receptor type-1 [4-503,T204D]
Ligand
BDBM21508
Substrate
TGF-beta receptor type I
Meas. Tech.
Enzyme Assay and Luciferase Reporter Assay
pH
7.5±n/a
Temperature
303.15±n/a K
IC50
100±71 nM
EC50
38±12 nM
Citation
 Li, HY; McMillen, WT; Heap, CR; McCann, DJ; Yan, L; Campbell, RM; Mundla, SR; King, CH; Dierks, EA; Anderson, BD; Britt, KS; Huss, KL; Voss, MD; Wang, Y; Clawson, DK; Yingling, JM; Sawyer, JS Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-beta Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-beta Receptor Type I Inhibitor as Antitumor Agent. J Med Chem 51:2302-2306 (2008) [PubMed]  Article 
Target
Name:
TGF-beta receptor type-1 [4-503,T204D]
Synonyms:
ALK5 | SKR4 | TGF-beta receptor type-1 T204D | TGFBR1 | TGFR-1 T204D | TGFR1_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
55650.84
Organism:
Homo sapiens (Human)
Description:
P36897 T204D
Residue:
500
Sequence:
AVAAPRPRLLLLVLAAAAAAAAALLPGATALQCFCHLCTKDNFTCVTDGLCFVSVTETTDKVIHNSMCIAEIDLIPRDRPFVCAPSSKTGSVTTTYCCNQDHCNKIELPTTVKSSPGLGPVELAAVIAGPVCFVCISLMLMVYICHNRTVIHHRVPNEEDPSLDRPFISEGTTLKDLIYDMTTSGSGSGLPLLVQRTIARDIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM
  
Inhibitor
Name:
BDBM21508
Synonyms:
7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinoline | Dihydropyrrolopyrazole, 15c
Type:
Small organic molecule
Emp. Form.:
C27H30N6O
Mol. Mass.:
454.5667
SMILES:
CN1CCN(CCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-6.23,-1.84,;-6.23,-3.38,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
TGF-beta receptor type I
Synonyms:
ALK5 | ALK5(T204D) | SKR4 | TGFBR1 | TGFR1_HUMAN
Type:
Receptor intracellular domain
Mol. Mass.:
40581.62
Organism:
Homo sapiens (Human)
Description:
The autophosphorylation substrate.
Residue:
356
Sequence:
CHNRTVIHHRVPNEEDPSLDRPFISEGTTLKDLIYDMTTSGSGSGLPLLVQRTIARDIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM