Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM75688
Substrate
n/a
IC50
>94098±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:
BDBM75688
Synonyms:
1-(4-methylphenyl)-3-[(3-oxidanylnaphthalen-2-yl)carbonylamino]urea | 1-[(3-hydroxy-2-naphthoyl)amino]-3-(p-tolyl)urea | 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-methylphenyl)urea | 1-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]-3-(4-methylphenyl)urea | MLS001232556 | SMR000679181 | cid_24820057
Type:
Small organic molecule
Emp. Form.:
C19H17N3O3
Mol. Mass.:
335.3566
SMILES:
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
Structure:
Search PDB for entries with ligand similarity: