Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50387
Substrate
n/a
IC50
>94106±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:
BDBM50387
Synonyms:
1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(3-pyridyl)thiourea | 1-[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(3-pyridinyl)thiourea | 1-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea | 1-[[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]amino]-3-pyridin-3-yl-thiourea | MLS000416762 | SMR000241745 | cid_5807729
Type:
Small organic molecule
Emp. Form.:
C13H12N4O3S
Mol. Mass.:
304.324
SMILES:
Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
Structure:
Search PDB for entries with ligand similarity: