Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM52917
Substrate
n/a
IC50
>94027±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:
BDBM52917
Synonyms:
2-Hydroxy-benzoic acid N'-[2,4,6-trioxo-1-phenethyl-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide | 2-hydroxy-N'-[(E)-(2,4,6-triketo-1-phenethyl-hexahydropyrimidin-5-ylidene)methyl]benzohydrazide | 2-hydroxy-N'-[(E)-[2,4,6-trioxo-1-(2-phenylethyl)-1,3-diazinan-5-ylidene]methyl]benzohydrazide | 2-oxidanyl-N'-[(E)-[2,4,6-tris(oxidanylidene)-1-(2-phenylethyl)-1,3-diazinan-5-ylidene]methyl]benzohydrazide | MLS000806974 | SMR000414854 | cid_5593104
Type:
Small organic molecule
Emp. Form.:
C20H18N4O5
Mol. Mass.:
394.3807
SMILES:
Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:11.11|
Structure:
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