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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073889
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
113±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:
BDBM50073889
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-1-(4-chloro-phenylcarbamoyl)-2-phenyl-ethyl]-amide | CHEMBL60195
Type:
Small organic molecule
Emp. Form.:
C25H31ClN2O3S
Mol. Mass.:
475.043
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.03,-11.17,;-7.03,-9.63,;-5.7,-8.9,;-5.7,-7.36,;-7.01,-6.59,;-7.01,-5.05,;-5.7,-4.28,;-7.03,-3.51,;-7.03,-1.97,;-4.35,-5.05,;-4.35,-6.59,;-4.35,-3.51,;-4.35,-1.97,;-3.02,-4.28,;-1.69,-3.51,;-1.69,-1.97,;-.93,-.62,;.61,-.59,;1.36,.76,;.56,2.07,;-.98,2.04,;-1.72,.69,;-.35,-4.28,;-.35,-5.82,;.97,-3.51,;2.31,-4.28,;2.29,-5.82,;3.63,-6.59,;4.95,-5.82,;6.3,-6.59,;4.97,-4.28,;3.64,-3.48,)|
Structure:
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