Reaction Details Report a problem with these data
Target
Methylated-DNA--protein-cysteine methyltransferase
Ligand
BDBM50062815
Substrate
n/a
Meas. Tech.
ChEMBL_144844 (CHEMBL752890)
IC50
350±n/a nM
Citation
 Terashima, I; Kohda, K Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-diamino-5-(nitro or nitroso)pyrimidine derivatives and analogues. J Med Chem 41:503-8 (1998) [PubMed]  Article 
Target
Name:
Methylated-DNA--protein-cysteine methyltransferase
Synonyms:
6-O-methylguanine-DNA methyltransferase | MGMT | MGMT_HUMAN
Type:
PROTEIN
Mol. Mass.:
21651.27
Organism:
Homo sapiens (Human)
Description:
ChEMBL_144711
Residue:
207
Sequence:
MDKDCEMKRTTLDSPLGKLELSGCEQGLHEIKLLGKGTSAADAVEVPAPAAVLGGPEPLMQCTAWLNAYFHQPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISYQQLAALAGNPKAARAVGGAMRGNPVPILIPCHRVVCSSGAVGNYSGGLAVKEWLLAHEGHRLGKPGLGGSSGLAGAWLKGAGATSGSPPAGRN
  
Inhibitor
Name:
BDBM50062815
Synonyms:
6-(4-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine | CHEMBL356396
Type:
Small organic molecule
Emp. Form.:
C11H10FN5O3
Mol. Mass.:
279.2272
SMILES:
Nc1nc(N)c(c(OCc2ccc(F)cc2)n1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: