Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96361
Substrate
n/a
IC50
>94075±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:
BDBM96361
Synonyms:
4-chloranyl-N'-[3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzohydrazide | 4-chloro-N'-[3-(4-methoxyphenyl)-3-oxo-1-propen-1-yl]benzohydrazide | 4-chloro-N'-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide | 4-chloro-N'-[3-keto-3-(4-methoxyphenyl)prop-1-enyl]benzohydrazide | MLS001163391 | SMR000499516 | cid_2860352
Type:
Small organic molecule
Emp. Form.:
C17H15ClN2O3
Mol. Mass.:
330.766
SMILES:
COc1ccc(cc1)C(=O)CC=NNC(=O)c1ccc(Cl)cc1 |w:12.13|
Structure:
Search PDB for entries with ligand similarity: