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Target
Matrix metalloproteinase-9
Ligand
BDBM50073882
Substrate
n/a
Meas. Tech.
ChEBML_105232
IC50
79±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:
BDBM50073882
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-cyclohexylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL60250
Type:
Small organic molecule
Emp. Form.:
C25H38N2O3S
Mol. Mass.:
446.646
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 |wU:6.11,14.14,3.2,wD:6.6,(-4.93,-12.8,;-4.93,-11.24,;-3.59,-10.5,;-3.59,-8.96,;-4.91,-8.19,;-4.91,-6.65,;-3.59,-5.88,;-4.93,-5.11,;-4.93,-3.57,;-2.25,-6.65,;-2.25,-8.19,;-2.25,-5.11,;-2.25,-3.57,;-.92,-5.88,;.42,-5.11,;.42,-3.57,;1.17,-2.22,;2.71,-2.21,;3.46,-.87,;2.66,.47,;1.12,.44,;.38,-.91,;1.74,-5.88,;1.74,-7.42,;3.08,-5.11,;4.41,-5.88,;5.74,-5.1,;7.07,-5.88,;7.06,-7.42,;5.72,-8.19,;4.4,-7.42,)|
Structure:
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