Reaction Details Report a problem with these data
Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50378677
Substrate
n/a
Meas. Tech.
ChEMBL_607465 (CHEMBL1068070)
IC50
50120±n/a nM
Citation
 Weidlich, IE; Dexheimer, T; Marchand, C; Antony, S; Pommier, Y; Nicklaus, MC Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores. Bioorg Med Chem 18:182-9 (2010) [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:
BDBM50378677
Synonyms:
CHEMBL591966
Type:
Small organic molecule
Emp. Form.:
C21H17N3O2
Mol. Mass.:
343.3786
SMILES:
O=C(OCc1cn2ccccc2n1)c1c2CCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: