Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50538
Substrate
n/a
IC50
>94181±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:
BDBM50538
Synonyms:
8,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one | 8,9-dihydroxy-6-benzofuro[3,2-c][1]benzopyranone | 8,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one | 8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one | 8,9-dihydroxybenzofuro[3,2-c]chromen-6-one | MLS000689780 | SMR000313384 | cid_638310
Type:
Small organic molecule
Emp. Form.:
C15H8O5
Mol. Mass.:
268.221
SMILES:
Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
Structure:
Search PDB for entries with ligand similarity: