Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM43104
Substrate
n/a
IC50
>94125±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:
BDBM43104
Synonyms:
2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester | 2-(3-bromophenyl)cinchoninic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester | MLS000409164 | SMR000248508 | [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate | [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate | cid_4173883
Type:
Small organic molecule
Emp. Form.:
C26H22BrN3O5S
Mol. Mass.:
568.439
SMILES:
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
Structure:
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