Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTGF-beta receptor type-1
LigandBDBM50301183
Substrate/Competitorn/a
Meas. Tech.ChEMBL_598612 (CHEMBL1048115)
IC50 79±n/a nM
Citation Ren, JXLi, LLZou, JYang, LYang, JLYang, SY Pharmacophore modeling and virtual screening for the discovery of new transforming growth factor-beta type I receptor (ALK5) inhibitors. Eur J Med Chem44:4259-65 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
TGF-beta receptor type-1
Name:TGF-beta receptor type-1
Synonyms:ALK-5 | ALK5 | Activin A receptor type II-like protein kinase of 53kD | Activin receptor-like kinase 5 | SKR4 | Serine/threonine-protein kinase receptor R4 | TGF-beta receptor type I | TGF-beta type I receptor | TGFBR1 | TGFR-1 | TGFR1_HUMAN | TbetaR-I | Transforming growth factor-beta receptor type I
Type:enzyme
Mol. Mass.:55968.24
Organism:Homo sapiens (Human)
Description:P36897
Residue:503
Sequence:
MEAAVAAPRPRLLLLVLAAAAAAAAALLPGATALQCFCHLCTKDNFTCVTDGLCFVSVTE
TTDKVIHNSMCIAEIDLIPRDRPFVCAPSSKTGSVTTTYCCNQDHCNKIELPTTVKSSPG
LGPVELAAVIAGPVCFVCISLMLMVYICHNRTVIHHRVPNEEDPSLDRPFISEGTTLKDL
IYDMTTSGSGSGLPLLVQRTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREER
SWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVE
GMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDS
ATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGI
HEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGA
ARLTALRIKKTLSQLSQQEGIKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50301183
n/a
NameBDBM50301183
Synonyms:2-hydroxyethyl 4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ylcarbamate | CHEMBL566439
TypeSmall organic molecule
Emp. Form.C23H21N5O3
Mol. Mass.415.4445
SMILESOCCOC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(27.2,-11.96,;27.83,-13.37,;29.37,-13.52,;30,-14.93,;31.53,-15.09,;32.44,-13.84,;32.17,-16.49,;33.7,-16.65,;34.6,-15.4,;36.13,-15.56,;36.75,-16.96,;38.29,-17.12,;38.91,-18.53,;38.01,-19.77,;36.47,-19.61,;35.85,-18.2,;34.33,-18.04,;39.19,-15.88,;38.72,-14.42,;37.47,-13.52,;37.93,-12.06,;39.47,-12.04,;39.96,-13.5,;41.22,-14.42,;40.74,-15.88,;41.64,-17.13,;41.01,-18.54,;41.91,-19.78,;43.44,-19.62,;44.07,-18.21,;43.16,-16.97,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: