Reaction Details Report a problem with these data
Target
Protein S100-B
Ligand
BDBM50146596
Substrate
n/a
Meas. Tech.
ChEMBL_1555504 (CHEMBL3768086)
Kd
89500±n/a nM
Citation
 Cavalier, MC; Ansari, MI; Pierce, AD; Wilder, PT; McKnight, LE; Raman, EP; Neau, DB; Bezawada, P; Alasady, MJ; Charpentier, TH; Varney, KM; Toth, EA; MacKerell, AD; Coop, A; Weber, DJ Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J Med Chem 59:592-608 (2016) [PubMed]  Article 
Target
Name:
Protein S100-B
Synonyms:
Protein S100-B | S-100 protein beta chain | S-100 protein subunit beta | S100 calcium-binding protein B | S100B_RAT | S100b
Type:
PROTEIN
Mol. Mass.:
10731.34
Organism:
Rattus norvegicus
Description:
ChEMBL_116732
Residue:
92
Sequence:
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDEDGDGECDFQEFMAFVSMVTTACHEFFEHE
  
Inhibitor
Name:
BDBM50146596
Synonyms:
CHEMBL3765054
Type:
Small organic molecule
Emp. Form.:
C25H34N6O4
Mol. Mass.:
482.5753
SMILES:
CNC(=O)NC(=N)c1ccc(OCCCCCCCOc2ccc(cc2)C(=N)NC(=O)NC)cc1
Structure:
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