Reaction Details Report a problem with these data
Target
DNA topoisomerase 1
Ligand
BDBM50562434
Substrate
n/a
Meas. Tech.
ChEMBL_2078535 (CHEMBL4734326)
IC50
123±n/a nM
Citation
 Noha, RM; Abdelhameid, MK; Ismail, MM; Mohammed, MR; Salwa, E Design, synthesis and screening of benzimidazole containing compounds with methoxylated aryl radicals as cytotoxic molecules on (HCT-116) colon cancer cells. Eur J Med Chem 209:0 (2021) [PubMed]  Article 
Target
Name:
DNA topoisomerase 1
Synonyms:
DNA topoisomerase I | DNA topoisomerase I (Topo I) | TOP1 | TOP1_HUMAN
Type:
Enzyme
Mol. Mass.:
90771.02
Organism:
Homo sapiens (Human)
Description:
P11387
Residue:
765
Sequence:
MSGDHLHNDSQIEADFRLNDSHKHKDKHKDREHRHKEHKKEKDREKSKHSNSEHKDSEKKHKEKEKTKHKDGSSEKHKDKHKDRDKEKRKEEKVRASGDAKIKKEKENGFSSPPQIKDEPEDDGYFVPPKEDIKPLKRPRDEDDADYKPKKIKTEDTKKEKKRKLEEEEDGKLKKPKNKDKDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKFYYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKCDFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGLFRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENIQGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALYFIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNKVPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQQLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLADARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSKLNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF
  
Inhibitor
Name:
BDBM50562434
Synonyms:
CHEMBL4785034
Type:
Small organic molecule
Emp. Form.:
C18H15N3O5S
Mol. Mass.:
385.394
SMILES:
COc1cc(cc(OC)c1OC)-c1csc2nc3ccc(cc3n12)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: