Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50227
Substrate
n/a
IC50
>94083±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:
BDBM50227
Synonyms:
3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one | 3-[[(E)-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]-4-quinazolinone | 3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one | 3-[[(E)-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one | 3-{[1-(2-Hydroxy-5-methyl-3-nitro-phenyl)-meth-(E)-ylidene]-amino}-2-o-tolyloxymethyl-3H-quinazolin-4-one | MLS000591629 | SMR000218732 | cid_6054275
Type:
Small organic molecule
Emp. Form.:
C24H20N4O5
Mol. Mass.:
444.4394
SMILES:
Cc1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\n2c(COc3ccccc3C)nc3ccccc3c2=O)c1
Structure:
Search PDB for entries with ligand similarity: