Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96312
Substrate
n/a
IC50
>94012±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:
BDBM96312
Synonyms:
1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino]-3-methyl-thiourea | 1-[[1-[(3,4-dichlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]-3-methyl-thiourea | 1-[[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-methylthiourea | 1-[[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-oxomethyl]amino]-3-methylthiourea | 2-{[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbonyl}-N-methyl-1-hydrazinecarbothioamide | MLS000543304 | SMR000169273 | cid_2764881
Type:
Small organic molecule
Emp. Form.:
C15H14Cl2N4O2S
Mol. Mass.:
385.268
SMILES:
CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
Structure:
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