Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96345
Substrate
n/a
IC50
>93986±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of T-cell receptor (TCR)-CD3 interaction: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled BSA probe PubChem Bioassay (2013)[AID] 
Target
Name:
Albumin
Synonyms:
ALB | ALBU_BOVIN | Serum albumin | serum albumin precursor
Type:
PROTEIN
Mol. Mass.:
69288.15
Organism:
Bos taurus
Description:
ChEMBL_1502598
Residue:
607
Sequence:
MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
  
Inhibitor
Name:
BDBM96345
Synonyms:
2-hydroxy-3,5,7-trimethylol-cyclohepta-2,4,6-trien-1-one | 2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone | 2-hydroxy-3,5,7-tris(hydroxymethyl)cyclohepta-2,4,6-trien-1-one | 3,5,7-tris(hydroxymethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one | MLS000766751 | SMR000339647 | cid_741311
Type:
Small organic molecule
Emp. Form.:
C10H12O5
Mol. Mass.:
212.1993
SMILES:
OCc1cc(CO)c(O)c(=O)c(CO)c1
Structure:
Search PDB for entries with ligand similarity: