Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96320
Substrate
n/a
IC50
>94101±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:
BDBM96320
Synonyms:
MLS000697200 | N-[4-[5-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-4-piperidin-1-ylsulfonyl-benzamide | N-[4-[5-(3,4-dimethoxyphenyl)-1-triazolyl]phenyl]-4-(1-piperidinylsulfonyl)benzamide | N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide | N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-piperidinosulfonyl-benzamide | SMR000237677 | cid_4162672
Type:
Small organic molecule
Emp. Form.:
C28H29N5O5S
Mol. Mass.:
547.625
SMILES:
COc1ccc(cc1OC)-c1cnnn1-c1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
Structure:
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