Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50177311
Substrate
n/a
Meas. Tech.
ChEMBL_334536 (CHEMBL862519)
Ki
>2128±n/a nM
Citation
Cherney, RJ; King, BW; Gilmore, JL; Liu, RQ; Covington, MB; Duan, JJ; Decicco, CP Conversion of potent MMP inhibitors into selective TACE inhibitors. Bioorg Med Chem Lett 16:1028-31 (2006) [PubMed] Article
More Info.:
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:
BDBM50177311
Synonyms:
2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-ethyl}-1,1-dioxo-isothiazolidine-3-carboxylic acid hydroxyamide | CHEMBL204549
Type:
Small organic molecule
Emp. Form.:
C23H25N3O5S
Mol. Mass.:
455.527
SMILES:
Cc1cc(COc2ccc(CCN3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1