Reaction Details Report a problem with these data
Target
Telomerase reverse transcriptase
Ligand
BDBM50080852
Substrate
n/a
Meas. Tech.
ChEMBL_622825 (CHEMBL1105835)
IC50
>50000±n/a nM
Citation
 Castillo-González, D; Cabrera-Pérez, MA; Pérez-González, M; Morales Helguera, A; Durán-Martínez, A Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure. Eur J Med Chem 44:4826-40 (2009) [PubMed]  Article 
Target
Name:
Telomerase reverse transcriptase
Synonyms:
EST2 | TCS1 | TERT | TERT_HUMAN | TRT
Type:
PROTEIN
Mol. Mass.:
127099.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1447029
Residue:
1132
Sequence:
MPRAPRCRAVRSLLRSHYREVLPLATFVRRLGPQGWRLVQRGDPAAFRALVAQCLVCVPWDARPPPAAPSFRQVSCLKELVARVLQRLCERGAKNVLAFGFALLDGARGGPPEAFTTSVRSYLPNTVTDALRGSGAWGLLLRRVGDDVLVHLLARCALFVLVAPSCAYQVCGPPLYQLGAATQARPPPHASGPRRRLGCERAWNHSVREAGVPLGLPAPGARRRGGSASRSLPLPKRPRRGAAPEPERTPVGQGSWAHPGRTRGPSDRGFCVVSPARPAEEATSLEGALSGTRHSHPSVGRQHHAGPPSTSRPPRPWDTPCPPVYAETKHFLYSSGDKEQLRPSFLLSSLRPSLTGARRLVETIFLGSRPWMPGTPRRLPRLPQRYWQMRPLFLELLGNHAQCPYGVLLKTHCPLRAAVTPAAGVCAREKPQGSVAAPEEEDTDPRRLVQLLRQHSSPWQVYGFVRACLRRLVPPGLWGSRHNERRFLRNTKKFISLGKHAKLSLQELTWKMSVRDCAWLRRSPGVGCVPAAEHRLREEILAKFLHWLMSVYVVELLRSFFYVTETTFQKNRLFFYRKSVWSKLQSIGIRQHLKRVQLRELSEAEVRQHREARPALLTSRLRFIPKPDGLRPIVNMDYVVGARTFRREKRAERLTSRVKALFSVLNYERARRPGLLGASVLGLDDIHRAWRTFVLRVRAQDPPPELYFVKVDVTGAYDTIPQDRLTEVIASIIKPQNTYCVRRYAVVQKAAHGHVRKAFKSHVSTLTDLQPYMRQFVAHLQETSPLRDAVVIEQSSSLNEASSGLFDVFLRFMCHHAVRIRGKSYVQCQGIPQGSILSTLLCSLCYGDMENKLFAGIRRDGLLLRLVDDFLLVTPHLTHAKTFLRTLVRGVPEYGCVVNLRKTVVNFPVEDEALGGTAFVQMPAHGLFPWCGLLLDTRTLEVQSDYSSYARTSIRASLTFNRGFKAGRNMRRKLFGVLRLKCHSLFLDLQVNSLQTVCTNIYKILLLQAYRFHACVLQLPFHQQVWKNPTFFLRVISDTASLCYSILKAKNAGMSLGAKGAAGPLPSEAVQWLCHQAFLLKLTRHRVTYVPLLGSLRTAQTQLSRKLPGTTLTALEAAANPALPSDFKTILD
  
Inhibitor
Name:
BDBM50080852
Synonyms:
3,6-Bis[3-(heptamethyleneimino)piperizinopropionamido)acridine | 3-Azocan-1-yl-N-[6-(3-azocan-1-yl-propionylamino)-acridin-3-yl]-propionamide | CHEMBL310838 | N,N'-(acridine-3,6-diyl)bis(3-(azocan-1-yl)propanamide)
Type:
Small organic molecule
Emp. Form.:
C33H45N5O2
Mol. Mass.:
543.7427
SMILES:
O=C(CCN1CCCCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCCCC4)cc3nc2c1
Structure:
Search PDB for entries with ligand similarity: