Reaction Details Report a problem with these data
Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073894
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
47±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:
BDBM50073894
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-phenylcarbamoyl-2-thiophen-2-yl-ethyl)-amide | CHEMBL60183
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3S2
Mol. Mass.:
446.626
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccs1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-6.08,-11.45,;-6.08,-9.91,;-4.77,-9.15,;-4.77,-7.61,;-6.08,-6.84,;-6.08,-5.3,;-4.77,-4.53,;-6.08,-3.76,;-6.08,-2.22,;-3.42,-5.3,;-3.42,-6.84,;-3.42,-3.76,;-3.42,-2.22,;-2.07,-4.53,;-.76,-3.76,;-.76,-2.22,;-.37,-.74,;1.07,-.16,;.97,1.38,;-.53,1.76,;-1.34,.47,;.59,-4.53,;.59,-6.07,;1.9,-3.76,;3.25,-4.53,;4.6,-3.75,;5.91,-4.52,;5.91,-6.06,;4.6,-6.83,;3.25,-6.07,)|
Structure:
Search PDB for entries with ligand similarity: