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Target
Matrix metalloproteinase-9
Ligand
BDBM50073897
Substrate
n/a
Meas. Tech.
ChEBML_105232
IC50
108±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:
BDBM50073897
Synonyms:
1-Mercaptomethyl-4-trifluoromethyl-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL293017
Type:
Small organic molecule
Emp. Form.:
C19H25F3N2O2S
Mol. Mass.:
402.474
SMILES:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(F)(F)F |wU:15.15,20.24,4.12,wD:15.16,(1.67,-7.2,;1.67,-8.74,;.33,-9.51,;.33,-11.05,;-.99,-8.74,;-.99,-7.2,;-.25,-5.85,;1.29,-5.84,;2.05,-4.49,;1.25,-3.15,;-.29,-3.19,;-1.03,-4.53,;-2.33,-9.51,;-3.66,-8.74,;-3.66,-7.2,;-5,-9.51,;-6.34,-8.74,;-6.34,-7.2,;-6.32,-10.28,;-6.32,-11.82,;-5,-12.59,;-3.66,-11.82,;-3.66,-10.28,;-5,-14.13,;-6.34,-14.89,;-3.68,-14.9,;-6.48,-13.73,)|
Structure:
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