Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96364
Substrate
n/a
IC50
>94033±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:
BDBM96364
Synonyms:
MLS001210541 | N-[N'-(4-Hydroxy-benzoyl)-hydrazinocarbothioyl]-3-nitro-benzamide | N-[[(4-hydroxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide | N-[[(4-hydroxybenzoyl)amino]thiocarbamoyl]-3-nitro-benzamide | N-[[(4-hydroxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide | N-[[[(4-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide | SMR000517401 | cid_3138352
Type:
Small organic molecule
Emp. Form.:
C15H12N4O5S
Mol. Mass.:
360.345
SMILES:
Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
Structure:
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