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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073902
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
449.0±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:
BDBM50073902
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-phenyl-1-(pyridin-2-ylcarbamoyl)-ethyl]-amide | CHEMBL417210
Type:
Small organic molecule
Emp. Form.:
C24H31N3O3S
Mol. Mass.:
441.586
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1 |wU:6.11,14.14,3.2,wD:6.6,(-5.67,-8.22,;-5.67,-6.68,;-4.33,-5.95,;-4.33,-4.41,;-5.65,-3.64,;-5.65,-2.1,;-4.33,-1.33,;-5.67,-.56,;-5.67,.98,;-2.98,-2.1,;-2.98,-3.64,;-2.98,-.56,;-2.98,.98,;-1.66,-1.33,;-.32,-.56,;-.32,.98,;.43,2.33,;-.35,3.65,;.38,4.99,;1.92,5.03,;2.73,3.71,;1.97,2.36,;1.01,-1.33,;1.01,-2.87,;2.34,-.56,;3.67,-1.33,;5,-.56,;6.35,-1.33,;6.33,-2.87,;5,-3.64,;3.67,-2.87,)|
Structure:
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