Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM84369
Substrate
n/a
IC50
29120±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:
BDBM84369
Synonyms:
6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5,8-bis(oxidanyl)naphthalene-1,4-dione;hydrochloride | 6-chloro-5,8-dihydroxy-7-[4-(2-hydroxyethyl)-1-piperazinyl]naphthalene-1,4-dione;hydrochloride | 6-chloro-5,8-dihydroxy-7-[4-(2-hydroxyethyl)piperazin-1-yl]naphthalene-1,4-dione;hydrochloride | 6-chloro-5,8-dihydroxy-7-[4-(2-hydroxyethyl)piperazino]-1,4-naphthoquinone;hydrochloride | MLS002701603 | SMR001565204 | cid_377971
Type:
Small organic molecule
Emp. Form.:
C16H17ClN2O5
Mol. Mass.:
352.77
SMILES:
OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
Structure:
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