Reaction Details Report a problem with these data
Target
Matrix metalloproteinase-9
Ligand
BDBM50073883
Substrate
n/a
Meas. Tech.
ChEMBL_105232 (CHEMBL712563)
IC50
49±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:
BDBM50073883
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-2-phenyl-1-phenylcarbamoyl-ethyl)-amide | CHEMBL59496
Type:
Small organic molecule
Emp. Form.:
C25H32N2O3S
Mol. Mass.:
440.598
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,(-2.44,-13.76,;-2.44,-12.22,;-1.11,-11.46,;-1.11,-9.92,;-2.43,-9.15,;-2.43,-7.61,;-1.11,-6.84,;-2.44,-6.07,;-2.44,-4.53,;.24,-7.61,;.24,-9.15,;.24,-6.07,;.24,-4.53,;1.57,-6.84,;2.9,-6.07,;2.9,-4.53,;3.66,-3.19,;5.2,-3.18,;5.95,-1.83,;5.14,-.49,;3.6,-.52,;2.87,-1.87,;4.23,-6.84,;4.23,-8.38,;5.56,-6.07,;6.9,-6.84,;6.88,-8.38,;8.21,-9.15,;9.54,-8.38,;9.56,-6.84,;8.22,-6.06,)|
Structure:
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