Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM65708
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:
BDBM65708
Synonyms:
1-(2-methoxy-5-methyl-phenyl)-3-[(3-oxidanylnaphthalen-2-yl)carbonylamino]urea | 1-[(3-hydroxy-2-naphthoyl)amino]-3-(2-methoxy-5-methyl-phenyl)urea | 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-methoxy-5-methylphenyl)urea | 1-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)urea | MLS001232544 | SMR000679195 | cid_24819690
Type:
Small organic molecule
Emp. Form.:
C20H19N3O4
Mol. Mass.:
365.3826
SMILES:
COc1ccc(C)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O
Structure:
Search PDB for entries with ligand similarity: