Reaction Details  Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50546205
Substrate
n/a
Meas. Tech.
ChEMBL_2014873 (CHEMBL4668451)
IC50
310±n/a nM
Citation
 Zipfel, P; Rochais, C; Baranger, K; Rivera, S; Dallemagne, P Matrix Metalloproteinases as New Targets in Alzheimer's Disease: Opportunities and Challenges. J Med Chem 63:10705-10725 (2020) [PubMed]  Article
Target
Name:
Matrix metalloproteinase-9
Synonyms:
67 kDa matrix metalloproteinase-9 | 82 kDa matrix metalloproteinase-9 | 92 kDa gelatinase | 92 kDa type IV collagenase | CLG4B | GELB | Gelatinase B | MMP-9 | MMP9 | MMP9_HUMAN | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9)
Type:
Enzyme
Mol. Mass.:
78452.28
Organism:
Homo sapiens (Human)
Description:
P14780
Residue:
707
Sequence:
MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRSYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSERPTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYWRFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRRLDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLDTHDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
  
Inhibitor
Name:
BDBM50546205
Synonyms:
CHEMBL4780220
Type:
Small organic molecule
Emp. Form.:
C29H43F2N5O6
Mol. Mass.:
595.6784
SMILES:
CCCCCC(=O)N1CC(F)(F)C[C@@H]1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCNC(=O)c1ccccc1)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity: