Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50994
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:
BDBM50994
Synonyms:
2-hydroxy-N'-{[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}benzohydrazide | 2-hydroxy-N'-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]benzohydrazide | 2-hydroxy-N'-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]-1-oxoethyl]benzohydrazide | MLS000595134 | N'-[2-[(5Z)-2,4-diketo-5-p-anisylidene-thiazolidin-3-yl]acetyl]-2-hydroxy-benzohydrazide | N'-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethanoyl]-2-oxidanyl-benzohydrazide | SMR000184870 | cid_1557000
Type:
Small organic molecule
Emp. Form.:
C20H17N3O6S
Mol. Mass.:
427.43
SMILES:
COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
Structure:
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