Brief Information of the Compound and Protein
Compound Name
(2R)-5-(carbamoylamino)-2-[[4-[(3,5-dibromophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxypentanamide
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PubChem ID
CID: 72714324
Canonical SMILES
NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO
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Compound Formula C19H22Br2N4O6S
Compound Structure
Protein Name
Disintegrin and metalloproteinase domain-containing protein 17
Protein Classification
Enzyme
>
Protease
>
Metallo protease
>
Metallo protease MAM clan
>
Metallo protease M12B subfamily
Uniprot ID
P78536
Gene Name
ADAM17
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000476 A2774 Homo sapiens (Human)  2
1
IC50 = 45 nM
   TI
   LI
   LO
   TS
2
IC50 = 651 nM
   TI
   LI
   LO
   TS
CL000072 A2780 Homo sapiens (Human)  2
1
IC50 < 10 nM
   TI
   LI
   LO
   TS
2
IC50 = 845 nM
   TI
   LI
   LO
   TS
CL000084 SK-OV-3 Homo sapiens (Human)  2
1
IC50 = 58 nM
   TI
   LI
   LO
   TS
2
IC50 = 4272 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.9 nM