Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM96411
Substrate
n/a
IC50
>94022±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:
BDBM96411
Synonyms:
MLS003170719 | N'-[(E)-(3,5-dichloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-phenyl-isoxazole-4-carbohydrazide | N'-[(E)-(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-3-phenyl-4-isoxazolecarbohydrazide | N'-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide | N'-[(E)-[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide | SMR001874638 | cid_5991589
Type:
Small organic molecule
Emp. Form.:
C18H13Cl2N3O3
Mol. Mass.:
390.22
SMILES:
Cc1onc(c1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O)-c1ccccc1 |w:9.9|
Structure:
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