Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50102608
Substrate
n/a
Meas. Tech.
ChEMBL_222128 (CHEMBL822216)
Ki
4.2±n/a nM
Citation
Xue, CB; Voss, ME; Nelson, DJ; Duan, JJ; Cherney, RJ; Jacobson, IC; He, X; Roderick, J; Chen, L; Corbett, RL; Wang, L; Meyer, DT; Kennedy, K; DeGradodagger, WF; Hardman, KD; Teleha, CA; Jaffee, BD; Liu, RQ; Copeland, RA; Covington, MB; Christ, DD; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem 44:2636-60 (2001) [PubMed] Article
More Info.:
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:
BDBM50102608
Synonyms:
11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide] | 11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide](SP057) | CHEMBL91636
Type:
Small organic molecule
Emp. Form.:
C24H41N5O8
Mol. Mass.:
527.611
SMILES:
CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO