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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM37106
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69499±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-+- converting enzyme (TACE)
Type:
Enzyme
Mol. Mass.:
93007.89
Organism:
Human
Description:
Residue:
824
Sequence:
MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSNCSKQSIYKTIESKAQECFQERSNKVCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKEGVQCSDRNSPCCKNCQFETAQKKCQEAINATCKGVSYCTGNSSECPPPGNAEDDTVCLDLGKCKDGKCIPFCEREQQLESCACNETDNSCKVCCRDLSGRCVPYVDAEQKNLFLRKGKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSVLVFSLIFWIPFSILVHCVDKKLDKQYESLSLFHPSNVEMLSSMDSASVRIIKPFPAPQTPGRLQPAPVIPSAPAAPKLDHQRMDTIQEDPSTDSHMDEDGFEKDPFPNSSTAAKSFEDLTDHPVTRSEKAASFKLQRQNRVDSKETEC
  
Inhibitor
Name:
BDBM37106
Synonyms:
5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecarboxylic acid methyl ester | 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylic acid methyl ester | MLS000051536 | SMR000079967 | cid_1508818 | methyl 1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-indole-3-carboxylate | methyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate | methyl 5-hydroxy-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H17NO4
Mol. Mass.:
311.3319
SMILES:
COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Structure:
Search PDB for entries with ligand similarity: