Reaction Details Report a problem with these data
Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM50318870
Substrate
n/a
Meas. Tech.
Kinase Assay
IC50
68±0.0 nM
Citation
 Shakespeare, WC; Wang, Y; Bohacek, R; Keenan, T; Sundaramoorthi, R; Metcalf, C; Dilauro, A; Roeloffzen, S; Liu, S; Saltmarsh, J; Paramanathan, G; Dalgarno, D; Narula, S; Pradeepan, S; van Schravendijk, MR; Keats, J; Ram, M; Liou, S; Adams, S; Wardwell, S; Bogus, J; Iuliucci, J; Weigele, M; Xing, L; Boyce, B; Sawyer, TK SAR of carbon-linked, 2-substituted purines: synthesis and characterization of AP23451 as a novel bone-targeted inhibitor of Src tyrosine kinase with in vivo anti-resorptive activity. Chem Biol Drug Des 71:97-105 (2008) [PubMed]  Article 
Target
Name:
Proto-oncogene tyrosine-protein kinase Src
Synonyms:
Neuronal proto-oncogene tyrosine-protein kinase Src | Proto-oncogene c-Src | SRC_MOUSE | Src | Tyrosine-protein kinase SRC
Type:
Protein
Mol. Mass.:
60650.57
Organism:
Mus musculus (Mouse)
Description:
P05480
Residue:
541
Sequence:
MGSNKSKPKDASQRRRSLEPSENVHGAGGAFPASQTPSKPASADGHRGPSAAFVPPAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTRKVDVREGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMNKGSLLDFLKGETGKYLRLPQLVDMSAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
  
Inhibitor
Name:
BDBM50318870
Synonyms:
((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-ylamino)phenyl)(hydroxy)phosphoryl)methylphosphonic acid | 2,6,9-Trisubstituted Purine, 8 | 2,6,9-Trisubstituted Purine, AP23451 | CHEMBL1084268
Type:
Small organic molecule
Emp. Form.:
C20H28N6O5P2
Mol. Mass.:
494.421
SMILES:
CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1 |r,wU:26.28,wD:29.32,(30.94,-9.82,;29.4,-9.81,;28.64,-8.49,;29.54,-7.24,;28.63,-6,;27.17,-6.48,;25.83,-5.71,;25.82,-4.17,;27.15,-3.4,;28.49,-4.17,;29.82,-3.4,;29.82,-1.86,;28.47,-1.09,;27.14,-1.87,;31.15,-1.08,;31.03,-2.56,;31.14,.46,;32.48,-1.85,;33.81,-1.07,;35.15,-1.84,;33.8,-2.61,;33.81,.47,;24.5,-6.48,;24.5,-8.02,;25.83,-8.79,;27.17,-8.02,;23.17,-8.79,;23.17,-10.33,;21.82,-11.1,;20.49,-10.33,;19.16,-11.1,;20.49,-8.79,;21.82,-8.01,)|
Structure:
Search PDB for entries with ligand similarity: