Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96318
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:
BDBM96318
Synonyms:
MLS000585468 | N'-[(1E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylene]-2-methylquinoline-4-carbohydrazide | N'-[(E)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-methyl-quinoline-4-carbohydrazide | N'-[(E)-(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-methyl-4-quinolinecarbohydrazide | N'-[(E)-(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-methylquinoline-4-carbohydrazide | N'-[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-2-methyl-cinchoninohydrazide | SMR000207450 | cid_12005457
Type:
Small organic molecule
Emp. Form.:
C18H13BrN4O4
Mol. Mass.:
429.224
SMILES:
Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Br)cc([N+]([O-])=O)c2=O)c2ccccc2n1
Structure:
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