Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96368
Substrate
n/a
IC50
>94054±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:
BDBM96368
Synonyms:
(4Z)-4-[[(2,6-dimethyl-1-piperidinyl)amino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone | (4Z)-4-[[(2,6-dimethylpiperidin-1-yl)amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one | (4Z)-4-[[(2,6-dimethylpiperidin-1-yl)amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one | (4Z)-4-[[(2,6-dimethylpiperidino)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one | MLS001172370 | SMR000589094 | cid_16242627
Type:
Small organic molecule
Emp. Form.:
C14H20N2O2
Mol. Mass.:
248.3208
SMILES:
CC1CCCC(C)N1N=Cc1ccc(O)c(O)c1 |w:8.8|
Structure:
Search PDB for entries with ligand similarity: