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Target
Matrix metalloproteinase-9
Ligand
BDBM50518291
Substrate
n/a
Meas. Tech.
ChEMBL_1871064 (CHEMBL4372231)
IC50
2.1±n/a nM
Citation
 Cuffaro, D; Nuti, E; Gifford, V; Ito, N; Camodeca, C; Tuccinardi, T; Nencetti, S; Orlandini, E; Itoh, Y; Rossello, A Design, synthesis and biological evaluation of bifunctional inhibitors of membrane type 1 matrix metalloproteinase (MT1-MMP). Bioorg Med Chem 27:196-207 (2019) [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:
BDBM50518291
Synonyms:
CHEMBL4584813
Type:
Small organic molecule
Emp. Form.:
C70H72N10O18S2
Mol. Mass.:
1405.507
SMILES:
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Structure:
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