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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM46386
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69520±n/a nM
Citation
 PubChem, PC QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17 PubChem Bioassay (2014)[AID] 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
ADA17_HUMAN | ADAM17 | CSVP | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM-17) | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM17) | TACE | TNF-alpha convertase | TNF-alpha converting enzyme (TACE) | TNF-alpha-converting enzyme (TACE) | Tumor Necrosis Factor Alpha Converting Enzyme | Tumor necrosis factor-α converting enzyme (TACE)
Type:
Enzyme
Mol. Mass.:
93007.89
Organism:
Homo sapiens (Human)
Description:
Residue:
824
Sequence:
MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSNCSKQSIYKTIESKAQECFQERSNKVCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKEGVQCSDRNSPCCKNCQFETAQKKCQEAINATCKGVSYCTGNSSECPPPGNAEDDTVCLDLGKCKDGKCIPFCEREQQLESCACNETDNSCKVCCRDLSGRCVPYVDAEQKNLFLRKGKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSVLVFSLIFWIPFSILVHCVDKKLDKQYESLSLFHPSNVEMLSSMDSASVRIIKPFPAPQTPGRLQPAPVIPSAPAAPKLDHQRMDTIQEDPSTDSHMDEDGFEKDPFPNSSTAAKSFEDLTDHPVTRSEKAASFKLQRQNRVDSKETEC
  
Inhibitor
Name:
BDBM46386
Synonyms:
4-[(2-bromanylphenoxy)methyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}benzamide | MLS000544434 | SMR000160010 | cid_997451
Type:
Small organic molecule
Emp. Form.:
C26H24BrN3O2
Mol. Mass.:
490.392
SMILES:
Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1
Structure:
Search PDB for entries with ligand similarity: