Reaction Details Report a problem with these data
Target
Myoglobin
Ligand
BDBM50437330
Substrate
n/a
Meas. Tech.
ChEMBL_972224 (CHEMBL2411426)
IC50
5300±n/a nM
Citation
 Shchepin, RV; Liu, W; Yin, H; Zagol-Ikapitte, I; Amin, T; Jeong, BS; Roberts, LJ; Oates, JA; Porter, NA; Boutaud, O Rational Design of Novel Pyridinol-Fused Ring Acetaminophen Analogues. ACS Med Chem Lett 4:710-714 (2013) [PubMed]  Article 
Target
Name:
Myoglobin
Synonyms:
MB | MYG_HUMAN
Type:
PROTEIN
Mol. Mass.:
17188.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107627
Residue:
154
Sequence:
MGLSDGEWQLVLNVWGKVEADIPGHGQEVLIRLFKGHPETLEKFDKFKHLKSEDEMKASEDLKKHGATVLTALGGILKKKGHHEAEIKPLAQSHATKHKIPVKYLEFISECIIQVLQSKHPGDFGADAQGAMNKALELFRKDMASNYKELGFQG
  
Inhibitor
Name:
BDBM50437330
Synonyms:
CHEMBL2407812
Type:
Small organic molecule
Emp. Form.:
C9H10N2O3
Mol. Mass.:
194.1873
SMILES:
Cc1nc2NC(=O)OCc2c(C)c1O
Structure:
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