Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM60915
Substrate
n/a
IC50
>94034±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:
BDBM60915
Synonyms:
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinolinyl)-2-propenamide | (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinolyl)acrylamide | (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-quinolin-5-ylprop-2-enamide | (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-N-quinolin-5-yl-prop-2-enamide | MLS001173932 | SMR000591923 | cid_9114427
Type:
Small organic molecule
Emp. Form.:
C19H13N3O3
Mol. Mass.:
331.3248
SMILES:
Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Structure:
Search PDB for entries with ligand similarity: