Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96352
Substrate
n/a
IC50
>94046±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:
BDBM96352
Synonyms:
2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one | 2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-4-quinazolinone | 2-methyl-3-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]quinazolin-4-one | 3-[[(E)-(6-keto-5-methyl-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-methyl-quinazolin-4-one | 3-{[1-(2-Hydroxy-3-methyl-5-nitro-phenyl)-meth-(E)-ylidene]-amino}-2-methyl-3H-quinazolin-4-one | MLS000778735 | SMR000415515 | cid_5422717
Type:
Small organic molecule
Emp. Form.:
C17H14N4O4
Mol. Mass.:
338.3175
SMILES:
Cc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(cc(C)c1=O)[N+]([O-])=O
Structure:
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