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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073895
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
207±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:
Metalloproteinase inhibitor 3
Synonyms:
TIMP3_RAT | Timp-3 | Timp3 | Tissue inhibitor of metalloproteinases 3 | Tissue inhibitor of metalloproteinases-3
Type:
PROTEIN
Mol. Mass.:
24241.51
Organism:
Rattus norvegicus
Description:
ChEMBL_10750
Residue:
211
Sequence:
MTPWLGLVVLLSCWSLGHWGTEACTCSPSHPQDAFCNSDIVIRAKVVGKKLVKEGPFGTLVYTIKQMKMYRGFSKMPHVQYIHTEASESLCGLKLEVNKYQYLLTGRVYEGKMYTGLCNFVERWDHLTLSQRKGLNYRYHLGCNCKIKSCYYLPCFVTSKKECLWTDMLSNFGYPGYQSKHYACIRQKGGYCSWYRGWAPPDKSISNATDP
  
Inhibitor
Name:
BDBM50073895
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-benzylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL62156
Type:
Small organic molecule
Emp. Form.:
C26H34N2O3S
Mol. Mass.:
454.625
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-2.81,-9.19,;-2.81,-7.65,;-1.5,-6.91,;-1.5,-5.37,;-2.81,-4.6,;-2.81,-3.06,;-1.5,-2.29,;-2.81,-1.52,;-2.81,.02,;-.15,-3.06,;-.15,-4.6,;-.15,-1.52,;-.15,.02,;1.2,-2.29,;2.51,-1.52,;2.51,.02,;3.28,1.37,;2.48,2.68,;3.22,4.03,;4.76,4.06,;5.56,2.75,;4.82,1.4,;3.86,-2.29,;3.86,-3.83,;5.18,-1.52,;6.52,-2.29,;6.52,-3.83,;5.18,-4.57,;5.18,-6.11,;6.52,-6.88,;7.84,-6.11,;7.84,-4.57,)|
Structure:
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