Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM53226
Substrate
n/a
IC50
>94082±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:
BDBM53226
Synonyms:
MLS001197623 | N-(4-keto-2-thioxo-1H-benzo[g]pteridin-8-yl)propionamide | N-(4-oxidanylidene-2-sulfanylidene-1H-benzo[g]pteridin-8-yl)propanamide | N-(4-oxo-2-sulfanylidene-1H-benzo[g]pteridin-8-yl)propanamide | N-(4-oxo-2-thioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)propanamide | SMR000559904 | cid_24762095
Type:
Small organic molecule
Emp. Form.:
C13H11N5O2S
Mol. Mass.:
301.324
SMILES:
CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Structure:
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