Reaction Details Report a problem with these data
Target
Protein S100-B
Ligand
BDBM45440
Substrate
n/a
Meas. Tech.
ChEMBL_302128 (CHEMBL841752)
Kd
1000±n/a nM
Citation
 Markowitz, J; Chen, I; Gitti, R; Baldisseri, DM; Pan, Y; Udan, R; Carrier, F; MacKerell, AD; Weber, DJ Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction. J Med Chem 47:5085-93 (2004) [PubMed]  Article 
Target
Name:
Protein S100-B
Synonyms:
S-100 protein beta chain | S100B | S100B_HUMAN
Type:
PROTEIN
Mol. Mass.:
10701.34
Organism:
Homo sapiens (Human)
Description:
ChEMBL_947124
Residue:
92
Sequence:
MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE
  
Inhibitor
Name:
BDBM45440
Synonyms:
4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid | CHEMBL494163 | MLS000028738 | PENTAMIDINE | PENTAMIDINE ISETHIONATE | SMR000059147 | cid_359323
Type:
Small organic molecule
Emp. Form.:
C19H24N4O2
Mol. Mass.:
340.4195
SMILES:
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Structure:
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