Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM58586
Substrate
n/a
IC50
>94106±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:
BDBM58586
Synonyms:
2-Fluoro-benzoic acid N'-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-hydrazide | MLS001217552 | N''-(2-fluorobenzoyl)-2-hydroxy-1-methyl-4-oxoquinoline-3-carbohydrazide | N''-(2-fluorobenzoyl)-4-hydroxy-2-keto-1-methyl-quinoline-3-carbohydrazide | N''-(2-fluorophenyl)carbonyl-1-methyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carbohydrazide | N''-[(2-fluorophenyl)-oxomethyl]-2-hydroxy-1-methyl-4-oxo-3-quinolinecarbohydrazide | N'-(2-fluorobenzoyl)-2-hydroxy-4-keto-1-methyl-quinoline-3-carbohydrazide | N'-(2-fluorobenzoyl)-4-hydroxy-2-keto-1-methyl-quinoline-3-carbohydrazide | SMR000608064 | cid_3115944
Type:
Small organic molecule
Emp. Form.:
C18H14FN3O4
Mol. Mass.:
355.3199
SMILES:
Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O
Structure:
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