Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM58397
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:
BDBM58397
Synonyms:
(4-Methoxy-phenyl)-acetic acid (3-bromo-2-hydroxy-5-nitro-benzylidene)-hydrazide | MLS001205032 | N'-[(E)-(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methoxyphenyl)ethanehydrazide | N'-[(E)-(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(4-methoxyphenyl)acetohydrazide | N'-[(E)-(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methoxyphenyl)acetohydrazide | N'-[(E)-(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methoxyphenyl)acetohydrazide | SMR000515815 | cid_5442180
Type:
Small organic molecule
Emp. Form.:
C16H14BrN3O5
Mol. Mass.:
408.203
SMILES:
COc1ccc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: