Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96307
Substrate
n/a
IC50
>94072±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:
BDBM96307
Synonyms:
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(4-methyl-piperidine-1-sulfonyl)-phenyl]-acetamide | 2-[5-(2-fluorophenyl)-1,2,3,4-tetrazol-2-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanamide | 2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide | 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide | 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(4-methylpiperidino)sulfonylphenyl]acetamide | MLS000068248 | SMR000003124 | cid_653978
Type:
Small organic molecule
Emp. Form.:
C21H23FN6O3S
Mol. Mass.:
458.509
SMILES:
CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Structure:
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