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Target
Matrix metalloproteinase-9
Ligand
BDBM50073905
Substrate
n/a
Meas. Tech.
ChEBML_105232
IC50
52±n/a nM
Citation
 Fink, CA; Carlson, JE; Boehm, C; McTaggart, P; Qiao, Y; Doughty, J; Ganu, V; Melton, R; Goldberg, R Design and synthesis of thiol containing inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett 9:195-200 (1999) [PubMed]  Article 
Target
Name:
Matrix metalloproteinase-9
Synonyms:
MMP9_RAT | Matrix metalloproteinase 9 | Matrix metalloproteinase-9 (MMP-9) | Mmp9
Type:
n/a
Mol. Mass.:
78603.01
Organism:
Rattus norvegicus (Rat)
Description:
P50282
Residue:
708
Sequence:
MSPWQPLLLVLLALGYSFAAPHQRQPTYVVFPRDLKTSNLTDTQLAEDYLYRYGYTRAAQMMGEKQSLRPALLMLQKQLSLPQTGELDSETLKAIRSPRCGVPDVGKFQTFDGDLKWHHHNITYWIQSYTEDLPRDVIDDSFARAFAVWSAVTPLTFTRVYGLEADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGAVVPTYFGNANGAPCHFPFTFEGRSYLSCTTDGRNDGKPWCGTTADYDTDRKYGFCPSENLYTEHGNGDGKPCVFPFIFEGHSYSACTTKGRSDGYRWCATTANYDQDKADGFCPTRADVTVTGGNSAGEMCVFPFVFLGKQYSTCTSEGRSDGRLWCATTSNFDADKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYHYHEDSPLHEDDIKGIHHLYGRGSKPDPRPPATTAAEPQPTAPPTMCSTAPPMAYPTGGPTVAPTGAPSPGPTGPPTAGPSEAPTESSTPDDNPCNVDVFDAIADIQGALHFFKDGRYWKFSNHGGNQLQGPFLIARTWPAFPSKLNSAFEDPQPKKIFFFLWAQMWVYTGQSVLGPRSLDKLGLGSEVTLVTGLLPRRGGKALLISRERIWKFDLKSQKVDPQSVTRLDNEFSGVPWNSHNVFQYQDKAYFCHDKYFWRVSFHNRVNQVDHVAYVTYDLLQCP
  
Inhibitor
Name:
BDBM50073905
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-1-(4-fluoro-phenylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL417383
Type:
Small organic molecule
Emp. Form.:
C25H31FN2O3S
Mol. Mass.:
458.589
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-5.83,-12,;-5.83,-10.44,;-4.51,-9.7,;-4.51,-8.16,;-5.83,-7.39,;-5.83,-5.85,;-4.51,-5.08,;-5.83,-4.31,;-5.83,-2.77,;-3.16,-5.85,;-3.16,-7.39,;-3.16,-4.31,;-3.16,-2.77,;-1.82,-5.08,;-.5,-4.31,;-.5,-2.77,;.27,-1.42,;1.81,-1.41,;2.54,-.06,;1.74,1.27,;.2,1.24,;-.53,-.11,;.84,-5.08,;.84,-6.62,;2.16,-4.31,;3.51,-5.08,;3.47,-6.62,;4.82,-7.39,;6.14,-6.62,;7.48,-7.41,;6.17,-5.08,;4.82,-4.3,)|
Structure:
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