Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50429
Substrate
n/a
IC50
>94085±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:
BDBM50429
Synonyms:
(6E)-6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitro-1-cyclohexa-2,4-dienone | (6E)-6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitro-cyclohexa-2,4-dien-1-one | (6E)-6-[[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-methoxy-2-nitrocyclohexa-2,4-dien-1-one | (6E)-6-[[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-4-methoxy-2-nitro-cyclohexa-2,4-dien-1-one | 5-ethyl-4-({2-hydroxy-3-nitro-5-methoxybenzylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione | MLS000705162 | SMR000230376 | cid_6167174
Type:
Small organic molecule
Emp. Form.:
C12H13N5O4S
Mol. Mass.:
323.328
SMILES:
CCc1n[nH]c(=S)n1[NH+]=C[c-]1cc(OC)cc([N+]([O-])=O)c1=O |w:8.8|
Structure:
Search PDB for entries with ligand similarity: