Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50216003
Substrate
n/a
Meas. Tech.
ChEMBL_456574 (CHEMBL922940)
IC50
1.5±n/a nM
Citation
 Gilmore, JL; King, BW; Asakawa, N; Harrison, K; Tebben, A; Sheppeck, JE; Liu, RQ; Covington, M; Duan, JJ Synthesis and structure-activity relationship of a novel, non-hydroxamate series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 17:4678-82 (2007) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
A disintegrin and metalloproteinase domain 17 | ADA17_PIG | ADAM 17 | ADAM17 | Snake venom-like protease | TACE | TNF-alpha-Converting Enzyme
Type:
Metalloprotease
Mol. Mass.:
12197.99
Organism:
Sus scrofa (pig)
Description:
Partially purified TACE was obtained from porcine spleen.
Residue:
112
Sequence:
MLREQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPIGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNE
  
Inhibitor
Name:
BDBM50216003
Synonyms:
CHEMBL247346 | cis-N-(1-acetyl-4-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C26H26N6O3S
Mol. Mass.:
502.588
SMILES:
CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)c1n[nH]c(=S)[nH]1
Structure:
Search PDB for entries with ligand similarity: