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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073891
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
134±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:
BDBM50073891
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-(4-fluoro-phenyl)-1-phenylcarbamoyl-ethyl]-amide | CHEMBL60951
Type:
Small organic molecule
Emp. Form.:
C25H31FN2O3S
Mol. Mass.:
458.589
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-8.88,-8.69,;-8.88,-7.15,;-7.54,-6.4,;-7.54,-4.86,;-8.85,-4.09,;-8.85,-2.55,;-7.54,-1.78,;-8.88,-1.01,;-8.88,.53,;-6.19,-2.55,;-6.19,-4.09,;-6.19,-1.01,;-6.19,.53,;-4.87,-1.78,;-3.53,-1.01,;-3.53,.53,;-2.78,1.88,;-1.24,1.89,;-.48,3.24,;-1.28,4.58,;-.53,5.92,;-2.82,4.54,;-3.56,3.2,;-2.2,-1.78,;-2.2,-3.32,;-.87,-1.01,;.46,-1.78,;1.81,-.99,;3.14,-1.76,;3.14,-3.3,;1.81,-4.07,;.48,-3.32,)|
Structure:
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