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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073904
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
568±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:
BDBM50073904
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-isopropylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL418312
Type:
Small organic molecule
Emp. Form.:
C22H34N2O3S
Mol. Mass.:
406.582
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C |wU:6.11,14.14,3.2,wD:6.6,(-5.96,-14.57,;-5.96,-13.03,;-4.62,-12.27,;-4.62,-10.73,;-5.94,-9.96,;-5.94,-8.42,;-4.62,-7.65,;-5.96,-6.88,;-5.96,-5.34,;-3.27,-8.42,;-3.27,-9.96,;-3.27,-6.88,;-3.27,-5.34,;-1.95,-7.65,;-.61,-6.88,;-.61,-5.34,;.14,-3.99,;1.68,-3.98,;2.44,-2.63,;1.64,-1.29,;.1,-1.33,;-.64,-2.67,;.72,-7.65,;.72,-9.19,;2.05,-6.88,;3.38,-7.65,;3.38,-9.19,;4.72,-6.88,)|
Structure:
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