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Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073881
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
62±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:
BDBM50073881
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-(4-methoxy-phenyl)-1-phenylcarbamoyl-ethyl]-amide | CHEMBL291542
Type:
Small organic molecule
Emp. Form.:
C26H34N2O4S
Mol. Mass.:
470.624
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-9.58,-8.05,;-9.58,-6.51,;-8.25,-5.75,;-8.25,-4.21,;-9.56,-3.44,;-9.56,-1.9,;-8.25,-1.13,;-9.58,-.36,;-9.58,1.18,;-6.9,-1.9,;-6.9,-3.44,;-6.9,-.36,;-6.9,1.18,;-5.57,-1.13,;-4.23,-.36,;-4.23,1.18,;-3.49,2.52,;-1.95,2.53,;-1.19,3.88,;-1.99,5.22,;-1.24,6.57,;.3,6.58,;-3.53,5.19,;-4.27,3.84,;-2.91,-1.13,;-2.91,-2.67,;-1.57,-.36,;-.25,-1.13,;-.22,-2.67,;1.1,-3.43,;2.44,-2.66,;2.44,-1.12,;1.1,-.35,)|
Structure:
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