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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073899
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
175±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:
BDBM50073899
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-phenyl-1-(4-trifluoromethoxy-phenylcarbamoyl)-ethyl]-amide | CHEMBL413270
Type:
Small organic molecule
Emp. Form.:
C26H31F3N2O4S
Mol. Mass.:
524.596
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-2.65,-6.45,;-2.65,-4.91,;-1.32,-4.15,;-1.32,-2.61,;-2.63,-1.84,;-2.63,-.3,;-1.32,.47,;-2.65,1.24,;-2.65,2.78,;.03,-.3,;.03,-1.84,;.03,1.24,;.03,2.78,;1.36,.47,;2.69,1.24,;2.69,2.78,;3.44,4.13,;4.98,4.14,;5.74,5.51,;4.94,6.82,;3.4,6.79,;2.66,5.44,;4.02,.47,;4.02,-1.07,;5.36,1.24,;6.68,.47,;8.02,1.25,;9.35,.47,;9.34,-1.07,;10.68,-1.86,;10.66,-3.4,;12,-4.17,;9.34,-4.15,;11.77,-2.31,;8,-1.84,;6.67,-1.07,)|
Structure:
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