Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM76224
Substrate
n/a
IC50
>94035±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:
BDBM76224
Synonyms:
MLS001147398 | N-[[(4-hydroxybenzoyl)amino]carbamothioyl]thiophene-2-carboxamide | N-[[(4-hydroxybenzoyl)amino]thiocarbamoyl]thiophene-2-carboxamide | N-[[(4-hydroxyphenyl)carbonylamino]carbamothioyl]thiophene-2-carboxamide | N-[[[(4-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide | N-{[2-(4-hydroxybenzoyl)hydrazino]carbothioyl}-2-thiophenecarboxamide | SMR000673126 | cid_1818307
Type:
Small organic molecule
Emp. Form.:
C13H11N3O3S2
Mol. Mass.:
321.375
SMILES:
Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
Structure:
Search PDB for entries with ligand similarity: