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Target
Matrix metalloproteinase-9
Ligand
BDBM50227996
Substrate
n/a
Meas. Tech.
ChEMBL_461667 (CHEMBL927688)
IC50
451±n/a nM
Citation
 Yao, W; Zhuo, J; Burns, DM; Li, YL; Qian, DQ; Zhang, C; He, C; Xu, M; Shi, E; Li, Y; Marando, CA; Covington, MB; Yang, G; Liu, X; Pan, M; Fridman, JS; Scherle, P; Wasserman, ZR; Hollis, G; Vaddi, K; Yeleswaram, S; Newton, R; Friedman, S; Metcalf, B Design and identification of selective HER-2 sheddase inhibitors via P1' manipulation and unconventional P2' perturbations to induce a molecular metamorphosis. Bioorg Med Chem Lett 18:159-63 (2008) [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:
BDBM50227996
Synonyms:
(6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-3,4-dihydro-2H-pyridine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid isobutyl ester | CHEMBL403185
Type:
Small organic molecule
Emp. Form.:
C25H33N3O5
Mol. Mass.:
455.5466
SMILES:
CC(C)COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(C=C1)c1ccccc1)C(=O)NO |w:20.25,c:23|
Structure:
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