Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM41891
Substrate
n/a
IC50
>94047±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:
BDBM41891
Synonyms:
1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-benzimidazolyl)ethanone;hydrochloride | 1-(3,4-dihydroxyphenyl)-2-(2-methylbenzimidazol-1-yl)ethanone;hydrochloride | 1-[3,4-bis(oxidanyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanone;hydrochloride | CHEMBL597055 | MLS-0315854.0001 | cid_25067495
Type:
Small organic molecule
Emp. Form.:
C16H14N2O3
Mol. Mass.:
282.294
SMILES:
Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: