Reaction Details Report a problem with these data
Target
Metalloproteinase inhibitor 3
Ligand
BDBM50073892
Substrate
n/a
Meas. Tech.
ChEBML_104705
IC50
640±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:
BDBM50073892
Synonyms:
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide | CHEMBL61610
Type:
Small organic molecule
Emp. Form.:
C20H30N2O3S
Mol. Mass.:
378.529
SMILES:
CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |wU:6.11,14.14,3.2,wD:6.6,(-5.92,-8.71,;-5.92,-7.17,;-4.61,-6.43,;-4.61,-4.89,;-5.92,-4.12,;-5.92,-2.58,;-4.61,-1.81,;-5.92,-1.04,;-5.92,.5,;-3.26,-2.58,;-3.26,-4.12,;-3.26,-1.04,;-3.26,.5,;-1.91,-1.81,;-.6,-1.04,;-.6,.5,;.17,1.85,;-.63,3.17,;.11,4.51,;1.65,4.54,;2.45,3.23,;1.71,1.88,;.75,-1.81,;.75,-3.35,;2.06,-1.04,;2.06,.5,)|
Structure:
Search PDB for entries with ligand similarity: