Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM89199
Substrate
n/a
IC50
>94082±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:
BDBM89199
Synonyms:
MLS001224314 | N-[(E)-[1-(3-fluorobenzyl)indol-3-yl]methyleneamino]-3,5-dihydroxy-benzamide | N-[(E)-[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide | N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-bis(oxidanyl)benzamide | N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-dihydroxybenzamide | SMR000678827 | cid_56642873
Type:
Small organic molecule
Emp. Form.:
C23H18FN3O3
Mol. Mass.:
403.4057
SMILES:
Oc1cc(O)cc(c1)C(=O)N\N=C\c1cn(Cc2cccc(F)c2)c2ccccc12
Structure:
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