Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM52902
Substrate
n/a
IC50
>94028±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:
BDBM52902
Synonyms:
2-Hydroxy-benzoic acid N'-[1-furan-2-ylmethyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide | MLS000778029 | N'-[(E)-[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-hydroxybenzohydrazide | N'-[(E)-[1-(2-furfuryl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-hydroxy-benzohydrazide | N'-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-hydroxybenzohydrazide | N'-[(E)-[1-(furan-2-ylmethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-oxidanyl-benzohydrazide | SMR000414423 | cid_5515627
Type:
Small organic molecule
Emp. Form.:
C17H14N4O6
Mol. Mass.:
370.3163
SMILES:
Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|
Structure:
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