Reaction Details Report a problem with these data
Target
DNA topoisomerase 1
Ligand
BDBM50512191
Substrate
n/a
Meas. Tech.
ChEMBL_1848166 (CHEMBL4348707)
IC50
61200±n/a nM
Citation
 Delgado, JL; Lentz, SRC; Kulkarni, CA; Chheda, PR; Held, HA; Hiasa, H; Kerns, RJ Probing structural requirements for human topoisomerase I inhibition by a novel N1-Biphenyl fluoroquinolone. Eur J Med Chem 172:109-130 (2019) [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:
BDBM50512191
Synonyms:
CHEMBL4573966
Type:
Small organic molecule
Emp. Form.:
C28H27N3O3
Mol. Mass.:
453.5323
SMILES:
NC[C@@H]1CCN(C1)c1ccc2c(c1)n(Cc1ccc(cc1)-c1ccccc1)cc(C(O)=O)c2=O |r|
Structure:
Search PDB for entries with ligand similarity: