Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50185871
Substrate
n/a
Meas. Tech.
ChEMBL_361727 (CHEMBL870165)
IC50
1.8±n/a nM
Citation
 Zhang, YM; Fan, X; Xiang, B; Chakravarty, D; Scannevin, R; Burke, S; Karnachi, P; Rhodes, K; Jackson, P Synthesis and SAR of alpha-sulfonylcarboxylic acids as potent matrix metalloproteinase inhibitors. Bioorg Med Chem Lett 16:3096-100 (2006) [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:
BDBM50185871
Synonyms:
4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fluoro-1H-benzoimidazol-2-yl)-benzenesulfonyl]-butyric acid | CHEMBL210441
Type:
Small organic molecule
Emp. Form.:
C25H18FN3O6S
Mol. Mass.:
507.49
SMILES:
OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Structure:
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