Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50171860
Substrate
n/a
Meas. Tech.
ChEMBL_105379 (CHEMBL712458)
Ki
>800±n/a nM
Citation
 Sawa, M; Tsukamoto, T; Kiyoi, T; Kurokawa, K; Nakajima, F; Nakada, Y; Yokota, K; Inoue, Y; Kondo, H; Yoshino, K New strategy for antedrug application: development of metalloproteinase inhibitors as antipsoriatic drugs. J Med Chem 45:930-6 (2002) [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 | GELB | Gelatinase B | MMP-9 | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9) | MMP9_HUMAN | MMP9 | CLG4B
Type:
Enzyme
Mol. Mass.:
78452.28
Organism:
Human
Description:
P14780
Residue:
707
Sequence:
MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEMRGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRSYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSERPTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYWRFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRRLDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLDTHDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
  
Inhibitor
Name:
BDBM50171860
Synonyms:
((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid ethyl ester | CHEMBL363424
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: