Reaction Details Report a problem with these data
Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50016176
Substrate
n/a
Meas. Tech.
ChEMBL_1350864 (CHEMBL3267292)
IC50
12000±n/a nM
Citation
 Lv, PC; Agama, K; Marchand, C; Pommier, Y; Cushman, M Design, synthesis, and biological evaluation of O-2-modified indenoisoquinolines as dual topoisomerase I-tyrosyl-DNA phosphodiesterase I inhibitors. J Med Chem 57:4324-36 (2014) [PubMed]  Article 
Target
Name:
Tyrosyl-DNA phosphodiesterase 1
Synonyms:
TDP1 | TYDP1_HUMAN | Tyrosyl-DNA phosphodiesterase 1 | Tyrosyl-DNA phosphodiesterase 1 (TDP1)
Type:
Enzyme
Mol. Mass.:
68430.66
Organism:
Homo sapiens (Human)
Description:
Q9NUW8
Residue:
608
Sequence:
MSQEGDYGRWTISSSDESEEEKPKPDKPSTSSLLCARQGAANEPRYTCSEAQKAAHKRKISPVKFSNTDSVLPPKRQKSGSQEDLGWCLSSSDDELQPEMPQKQAEKVVIKKEKDISAPNDGTAQRTENHGAPACHRLKEEEDEYETSGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESMLTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS
  
Inhibitor
Name:
BDBM50016176
Synonyms:
CHEMBL3261814
Type:
Small organic molecule
Emp. Form.:
C30H35N3O7
Mol. Mass.:
549.6148
SMILES:
CCNCCCOc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCN3CCOCC3)c(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: