Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96315
Substrate
n/a
IC50
>94080±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:
BDBM96315
Synonyms:
MLS000585923 | N-((E)-1-{[(2E)-2-(2-hydroxy-3,5-dinitrobenzylidene)hydrazino]carbonyl}-2-thien-2-ylvinyl)benzamide | N-[(E)-1-[[[(E)-(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]-2-(2-thienyl)vinyl]benzamide | N-[(E)-3-[2-[(E)-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide | N-[(E)-3-[2-[(E)-(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | N-[(E)-3-[[(E)-(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | SMR000207704 | cid_5956000
Type:
Small organic molecule
Emp. Form.:
C21H15N5O7S
Mol. Mass.:
481.438
SMILES:
[O-][N+](=O)c1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1
Structure:
Search PDB for entries with ligand similarity: