Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50136269
Substrate
n/a
Meas. Tech.
ChEBML_212585
IC50
0.450000±n/a nM
Citation
 Xue, CB; He, X; Roderick, J; Corbett, RL; Duan, JJ; Liu, RQ; Covington, MB; Qian, M; Ribadeneira, MD; Vaddi, K; Christ, DD; Newton, RC; Trzaskos, JM; Magolda, RL; Wexler, RR; Decicco, CP Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett 13:4299-304 (2003) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
ADAM 17 | Snake venom-like protease | A disintegrin and metalloproteinase domain 17 | TNF-alpha-Converting Enzyme | ADA17_PIG | ADAM17 | TACE
Type:
Metalloprotease
Mol. Mass.:
12197.99
Organism:
Pig
Description:
Partially purified TACE was obtained from porcine spleen.
Residue:
112
Sequence:
MLREQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPIGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNE
  
Inhibitor
Name:
BDBM50136269
Synonyms:
(3R,4S)-1-Cyclopropanecarbonyl-piperidine-3,4-dicarboxylic acid 3-hydroxyamide 4-{[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-amide} | CHEMBL342870
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)C3CC3)cc2)c2ccccc2n1
Structure:
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