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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073888
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
139±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:
BDBM50073888
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-(4-ethoxy-phenyl)-1-phenylcarbamoyl-ethyl]-amide | CHEMBL59886
Type:
Small organic molecule
Emp. Form.:
C27H36N2O4S
Mol. Mass.:
484.651
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OCC)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-10.54,-12.72,;-10.54,-11.18,;-9.23,-10.43,;-9.23,-8.89,;-10.54,-8.12,;-10.54,-6.58,;-9.23,-5.81,;-10.54,-5.04,;-10.54,-3.5,;-7.88,-6.58,;-7.88,-8.12,;-7.88,-5.04,;-7.88,-3.5,;-6.53,-5.81,;-5.22,-5.04,;-5.22,-3.5,;-4.45,-2.15,;-2.91,-2.13,;-2.17,-.78,;-2.97,.55,;-2.2,1.89,;-.66,1.91,;.08,3.26,;-4.51,.51,;-5.25,-.83,;-3.87,-5.81,;-3.87,-7.35,;-2.56,-5.04,;-1.21,-5.81,;.14,-5.02,;1.45,-5.79,;1.45,-7.33,;.14,-8.1,;-1.21,-7.35,)|
Structure:
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