Reaction Details Report a problem with these data
Target
T cell receptor alpha variable 4
Ligand
BDBM78912
Substrate
n/a
IC50
52741±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical primary high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled TCR probe PubChem Bioassay (2013)[AID] 
Target
Name:
T cell receptor alpha variable 4
Synonyms:
TCRAV4S1 | TRAV4 | TVA4_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
12216.28
Organism:
Homo sapiens (Human)
Description:
A0A0B4J268
Residue:
109
Sequence:
MRQVARVIVFLTLSTLSLAKTTQPISMDSYEGQEVNITCSHNNIATNDYITWYQQFPSQGPRFIIQGYKTKVTNEVASLFIPADRKSSTLSLPRVSLSDTAVYYCLVGD
  
Inhibitor
Name:
BDBM78912
Synonyms:
2-(4-methyl-phenyl)-3-hydroxy-4(1H)-quinolinone-7-carboxylic acid N-(1-imidazolylpropyl)-amide | 3-hydroxy-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-4-oxo-1H-quinoline-7-carboxamide | 3-hydroxy-N-(3-imidazol-1-ylpropyl)-4-keto-2-(p-tolyl)-1H-quinoline-7-carboxamide | 3-hydroxy-N-[3-(1-imidazolyl)propyl]-2-(4-methylphenyl)-4-oxo-1H-quinoline-7-carboxamide | MLS000889006 | N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)-3-oxidanyl-4-oxidanylidene-1H-quinoline-7-carboxamide | SMR000453631 | cid_16745854
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(=O)NCCCn1ccnc1
Structure:
Search PDB for entries with ligand similarity: