Reaction Details Report a problem with these data
Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073890
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
666±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:
BDBM50073890
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-cyclopentylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL64390
Type:
Small organic molecule
Emp. Form.:
C24H36N2O3S
Mol. Mass.:
432.619
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 |wU:6.11,14.14,3.2,wD:6.6,(-4.81,-11.04,;-4.81,-9.5,;-3.49,-8.74,;-3.49,-7.2,;-4.8,-6.43,;-4.8,-4.89,;-3.49,-4.12,;-4.81,-3.35,;-4.81,-1.81,;-2.14,-4.89,;-2.14,-6.43,;-2.14,-3.35,;-2.14,-1.81,;-.8,-4.12,;.52,-3.35,;.52,-1.81,;1.28,-.46,;2.82,-.45,;3.57,.9,;2.77,2.23,;1.23,2.2,;.49,.86,;1.86,-4.12,;1.86,-5.66,;3.19,-3.35,;4.52,-4.12,;5.94,-3.48,;6.96,-4.62,;6.19,-5.97,;4.68,-5.65,)|
Structure:
Search PDB for entries with ligand similarity: